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single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single
}
},
stereo {
tetrahedral {
center 192,
above 2,
top 220,
bottom 22,
below 248,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 193,
above 1,
top 221,
bottom 23,
below 249,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 194,
above 4,
top 222,
bottom 24,
below 250,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 195,
above 3,
top 223,
bottom 25,
below 251,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 196,
above 6,
top 224,
bottom 26,
below 252,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 197,
above 5,
top 225,
bottom 27,
below 253,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 198,
above 8,
top 226,
bottom 28,
below 254,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 199,
above 7,
top 227,
bottom 29,
below 255,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 200,
above 10,
top 228,
bottom 30,
below 256,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 201,
above 9,
top 229,
bottom 31,
below 257,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 202,
above 12,
top 230,
bottom 32,
below 258,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 203,
above 11,
top 231,
bottom 33,
below 259,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 204,
above 14,
top 232,
bottom 34,
below 260,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 205,
above 13,
top 233,
bottom 35,
below 261,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 206,
above 16,
top 234,
bottom 36,
below 262,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 207,
above 15,
top 235,
bottom 37,
below 263,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 208,
above 17,
top 236,
bottom 39,
below 265,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 209,
above 18,
top 237,
bottom 40,
below 264,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 210,
above 19,
top 238,
bottom 41,
below 277,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 211,
above 20,
top 239,
bottom 42,
below 266,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 212,
above 21,
top 240,
bottom 44,
below 289,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 213,
above 38,
top 241,
bottom 45,
below 284,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 214,
above 43,
top 242,
bottom 48,
below 295,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 215,
above 46,
top 243,
bottom 49,
below 290,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 216,
above 47,
top 246,
bottom 51,
below 321,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 217,
above 50,
top 247,
bottom 52,
below 316,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 218,
above 53,
top 293,
bottom 54,
below 335,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 219,
above 55,
top 56,
bottom 294,
below 328,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 220,
above 66,
top 267,
bottom 192,
below 420,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 221,
above 67,
top 268,
bottom 193,
below 421,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 222,
above 68,
top 269,
bottom 194,
below 422,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 223,
above 69,
top 270,
bottom 195,
below 423,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 224,
above 70,
top 271,
bottom 196,
below 424,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 225,
above 71,
top 272,
bottom 197,
below 425,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 226,
above 72,
top 273,
bottom 198,
below 426,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 227,
above 73,
top 274,
bottom 199,
below 427,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 228,
above 74,
top 275,
bottom 200,
below 428,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 229,
above 75,
top 276,
bottom 201,
below 429,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 230,
above 76,
top 278,
bottom 202,
below 430,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 231,
above 77,
top 279,
bottom 203,
below 431,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 232,
above 78,
top 280,
bottom 204,
below 432,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 233,
above 79,
top 281,
bottom 205,
below 433,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 234,
above 80,
top 282,
bottom 206,
below 434,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 235,
above 81,
top 283,
bottom 207,
below 435,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 236,
above 83,
top 286,
bottom 208,
below 437,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 237,
above 82,
top 285,
bottom 209,
below 436,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 238,
above 84,
top 287,
bottom 210,
below 438,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 239,
above 85,
top 288,
bottom 211,
below 439,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 240,
above 88,
top 291,
bottom 212,
below 440,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 241,
above 89,
top 292,
bottom 213,
below 441,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 242,
above 90,
top 306,
bottom 214,
below 442,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 243,
above 91,
top 309,
bottom 215,
below 443,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 244,
above 57,
top 329,
bottom 58,
below 341,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 245,
above 59,
top 60,
bottom 330,
below 338,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 246,
above 92,
top 322,
bottom 216,
below 444,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 247,
above 93,
top 323,
bottom 217,
below 445,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 267,
above 95,
top 220,
bottom 296,
below 484,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 268,
above 96,
top 221,
bottom 297,
below 485,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 269,
above 97,
top 222,
bottom 298,
below 486,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 270,
above 98,
top 223,
bottom 299,
below 487,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 271,
above 99,
top 224,
bottom 300,
below 488,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 272,
above 100,
top 225,
bottom 301,
below 489,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 273,
above 101,
top 226,
bottom 302,
below 490,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 274,
above 102,
top 227,
bottom 303,
below 491,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 275,
above 103,
top 228,
bottom 304,
below 492,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 276,
above 104,
top 229,
bottom 305,
below 493,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 278,
above 105,
top 230,
bottom 307,
below 496,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 279,
above 106,
top 231,
bottom 308,
below 497,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 280,
above 107,
top 232,
bottom 310,
below 498,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 281,
above 108,
top 233,
bottom 311,
below 499,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 282,
above 109,
top 234,
bottom 312,
below 500,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 283,
above 110,
top 235,
bottom 313,
below 501,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 285,
above 111,
top 237,
bottom 314,
below 504,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 286,
above 112,
top 236,
bottom 315,
below 505,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 287,
above 113,
top 238,
bottom 317,
below 506,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 288,
above 114,
top 239,
bottom 318,
below 507,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 291,
above 115,
top 240,
bottom 319,
below 512,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 292,
above 116,
top 241,
bottom 320,
below 513,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 293,
above 117,
top 333,
bottom 218,
below 514,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 294,
above 118,
top 334,
bottom 219,
below 515,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 296,
above 22,
top 267,
bottom 358,
below 518,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 297,
above 23,
top 268,
bottom 359,
below 519,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 298,
above 24,
top 269,
bottom 360,
below 520,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 299,
above 25,
top 270,
bottom 361,
below 521,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 300,
above 26,
top 271,
bottom 362,
below 522,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 301,
above 27,
top 272,
bottom 363,
below 523,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 302,
above 28,
top 273,
bottom 364,
below 524,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 303,
above 29,
top 274,
bottom 365,
below 525,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 304,
above 30,
top 275,
bottom 366,
below 527,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 305,
above 31,
top 276,
bottom 367,
below 528,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 306,
above 119,
top 242,
bottom 325,
below 526,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 307,
above 32,
top 278,
bottom 368,
below 529,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 308,
above 33,
top 279,
bottom 369,
below 530,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 309,
above 120,
top 243,
bottom 327,
below 531,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 310,
above 34,
top 280,
bottom 370,
below 532,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 311,
above 35,
top 281,
bottom 371,
below 533,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 312,
above 36,
top 282,
bottom 372,
below 534,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 313,
above 37,
top 283,
bottom 373,
below 535,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 314,
above 40,
top 285,
bottom 375,
below 536,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 315,
above 39,
top 286,
bottom 376,
below 537,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 317,
above 41,
top 287,
bottom 377,
below 540,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 318,
above 42,
top 288,
bottom 378,
below 541,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 319,
above 44,
top 291,
bottom 379,
below 542,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 320,
above 45,
top 292,
bottom 380,
below 543,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 322,
above 121,
top 246,
bottom 331,
below 546,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 323,
above 122,
top 247,
bottom 332,
below 547,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 324,
above 61,
top 342,
bottom 62,
below 351,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 325,
above 48,
top 306,
bottom 382,
below 548,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 326,
above 63,
top 64,
bottom 343,
below 348,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 327,
above 49,
top 309,
bottom 383,
below 549,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 329,
above 124,
top 339,
bottom 244,
below 552,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 330,
above 125,
top 340,
bottom 245,
below 553,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 331,
above 51,
top 322,
bottom 388,
below 554,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 332,
above 52,
top 323,
bottom 389,
below 555,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 333,
above 126,
top 293,
bottom 336,
below 556,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 334,
above 127,
top 294,
bottom 337,
below 557,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 336,
above 54,
top 333,
bottom 390,
below 560,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 337,
above 55,
top 334,
bottom 391,
below 561,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 339,
above 128,
top 329,
bottom 344,
below 564,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 340,
above 129,
top 330,
bottom 345,
below 565,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 342,
above 132,
top 349,
bottom 324,
below 568,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 343,
above 133,
top 350,
bottom 326,
below 569,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 344,
above 58,
top 339,
bottom 395,
below 570,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 345,
above 59,
top 340,
bottom 396,
below 571,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 346,
above 65,
top 354,
bottom 86,
below 386,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 347,
above 87,
top 94,
bottom 355,
below 356,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 349,
above 134,
top 342,
bottom 352,
below 574,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 350,
above 135,
top 343,
bottom 353,
below 575,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 352,
above 62,
top 349,
bottom 399,
below 578,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 353,
above 63,
top 350,
bottom 400,
below 579,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 354,
above 137,
top 357,
bottom 346,
below 580,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 355,
above 138,
top 374,
bottom 347,
below 581,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 357,
above 139,
top 354,
bottom 381,
below 584,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 374,
above 157,
top 355,
bottom 384,
below 617,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 381,
above 86,
top 357,
bottom 404,
below 630,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 384,
above 87,
top 374,
bottom 405,
below 635,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 385,
above 123,
top 392,
bottom 130,
below 403,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 387,
above 131,
top 393,
bottom 136,
below 394,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 392,
above 170,
top 397,
bottom 385,
below 666,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 394,
above 171,
top 398,
bottom 387,
below 671,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 397,
above 175,
top 392,
bottom 401,
below 700,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 398,
above 176,
top 394,
bottom 402,
below 705,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 401,
above 130,
top 397,
bottom 409,
below 712,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 402,
above 131,
top 398,
bottom 410,
below 713,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 406,
above 140,
top 408,
bottom 174,
below 417,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 407,
above 136,
top 179,
bottom 411,
below 732,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 408,
above 182,
top 412,
bottom 406,
below 735,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 411,
above 185,
top 407,
bottom 414,
below 764,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 412,
above 186,
top 408,
bottom 413,
below 767,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 413,
above 174,
top 412,
bottom 418,
below 770,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 414,
above 187,
top 415,
bottom 411,
below 773,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 415,
above 188,
top 414,
bottom 416,
below 778,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 416,
above 179,
top 415,
bottom 419,
below 779,
parity clockwise,
type tetrahedral
}
},
coords {
{
type {
twod,
computed,
units-unknown
},
aid {
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style {
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aid1 {
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185,
186,
418,
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}
},
charge 0,
props {
{
urn {
label "Compound",
name "Canonicalized",
datatype uint,
release "2019.01.04"
},
value ival 1
},
{
urn {
label "Compound Complexity",
datatype double,
implementation "E_COMPLEXITY",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value fval { 129, 10, 2 }
},
{
urn {
label "Count",
name "Hydrogen Bond Acceptor",
datatype uint,
implementation "E_NHACCEPTORS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 191
},
{
urn {
label "Count",
name "Hydrogen Bond Donor",
datatype uint,
implementation "E_NHDONORS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 116
},
{
urn {
label "Count",
name "Rotatable Bond",
datatype uint,
implementation "E_NROTBONDS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 149
},
{
urn {
label "Fingerprint",
name "SubStructure Keys",
datatype fingerprint,
parameters "extended 2",
implementation "E_SCREEN",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value binary '00000371F07C3E000000000000000000000000000001224489122400
00000000000000000000001A00000800000814B080030008000006000000000000000000000000
00000000000000111002000000224000050000070001C0600C0000000000000000000000000000
000000000000000000'H
},
{
urn {
label "IUPAC Name",
name "Allowed",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
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R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydr
oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxym
ethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydr
ofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy
methyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dih
ydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydro
xymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrah
ydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-
dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hy
droxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tet
rahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-
yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3
,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-
(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)
tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran
-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl
]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy
-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymeth
yl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofu
ran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymet
hyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydr
oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxym
ethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydr
ofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy
methyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dih
ydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydro
xymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrah
ydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxym
ethyl)tetrahydropyran-3,4,5-triol"
},
{
urn {
label "IUPAC Name",
name "CAS-like Style",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(
2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,
4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)
-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(
2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,
4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)
-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(
2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,
4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)
-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(h
ydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl
]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydrox
y-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-ox
olanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-di
hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl
)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-
3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxy
methyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxyme
thyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(h
ydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl
]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydrox
y-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-ox
olanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-di
hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl
)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-
3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxy
methyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxyme
thyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(h
ydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl
]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydrox
y-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-ox
olanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-di
hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl
)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-
3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-t
riol"
},
{
urn {
label "IUPAC Name",
name "Markup",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[(2<
I>S,3S,4S,5R)-2-[[(2R,3S,4S,5
R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,
4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R<
/I>,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,
3S,4S,5R)-2-[[(2R,3S,4S,5R)-2
-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3
S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(
2R,3S,4S,5R)-2-[[(2R,3S,4S,5<
I>R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R<
/I>)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4<
I>S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)
-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S<
/I>,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3<
I>S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[
[(2R,3S,4S,5R)-2-[[(2R,3S,4S,
5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis
(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-
yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydr
oxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxo
lan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-
dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymeth
yl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl
]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydro
xymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy
methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-
(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-
yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydr
oxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxo
lan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-
dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymeth
yl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl
]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydro
xymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy
methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-
(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-
yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydr
oxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxo
lan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-
dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymeth
yl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl
]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydro
xymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"
},
{
urn {
label "IUPAC Name",
name "Preferred",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hy
droxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy
-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan
-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dih
ydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)
oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3
,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxym
ethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymet
hyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hy
droxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy
-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan
-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dih
ydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)
oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3
,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxym
ethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymet
hyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hy
droxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy
-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan
-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dih
ydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)
oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3
,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-tri
ol"
},
{
urn {
label "IUPAC Name",
name "Systematic",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethy
l)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)
oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethy
l]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)
-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)ox
olan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]
-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3
,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxol
an-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5
-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4
-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan
-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(
hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-b
is(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2
-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hy
droxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis
(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-y
l]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydr
oxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(o
xidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]
oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydrox
ymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxi
danyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ox
ymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxym
ethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxida
nyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxym
ethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymet
hyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"
},
{
urn {
label "IUPAC Name",
name "Traditional",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2
R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4
S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-
3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-m
ethylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofur
an-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,
4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylo
l-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-y
l]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihy
droxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetr
ahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxym
ethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-
5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydro
furan-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]
-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-meth
ylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-
2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-d
ihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-t
etrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]o
xymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydro
xy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahy
drofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymeth
yl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-m
ethylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofur
an-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,
4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylo
l-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-y
l]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihy
droxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetr
ahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-
6-methylol-tetrahydropyran-3,4,5-triol"
},
{
urn {
label "InChI",
name "Standard",
datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.05.07"
},
value sval "InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)19
1(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304
)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(1
87(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-22
4)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107
(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(3
36)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66
-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-
255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)1
38(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-
213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402
-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)9
5(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(3
24)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-3
59-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)
395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(28
0)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(16
3(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)4
7-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236
)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(27
3)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(
310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-34
5-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-
,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,9
7-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,11
3-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,
129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144
-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,1
60+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+
,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,19
1-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,
207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222
-,223-,224-,225-,226-,227-,228+/m1/s1"
},
{
urn {
label "InChIKey",
name "Standard",
datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.05.07"
},
value sval "JYJIGFIDKWBXDU-MNNPPOADSA-N"
},
{
urn {
label "Log P",
name "XLogP3-AA",
datatype double,
version "3.0",
source "sioc-ccbg.ac.cn",
release "2021.05.07"
},
value fval { -702, 10, -1 }
},
{
urn {
label "Mass",
name "Exact",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "6178.0245641"
},
{
urn {
label "Molecular Formula",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "C228H382O191"
},
{
urn {
label "Molecular Weight",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "6179"
},
{
urn {
label "SMILES",
name "Canonical",
datatype string,
version "2.3.0",
software "OEChem",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)CO
C4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)COC7(C(C(C(O7)CO)
O)O)COC8(C(C(C(O8)CO)O)O)COC9(C(C(C(O9)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(
O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(
C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O
)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)
CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C
(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)CO
C1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)
O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(
O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)CO)O)O)O)O"
},
{
urn {
label "SMILES",
name "Isomeric",
datatype string,
version "2.3.0",
software "OEChem",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([
C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H]
(O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)
CO)O)O)CO[C@]7([C@H]([C@@H]([C@H](O7)CO)O)O)CO[C@]8([C@H]([C@@H]([C@H](O8)CO)O
)O)CO[C@]9([C@H]([C@@H]([C@H](O9)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)C
O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@
]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([
C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]
([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@
@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H](
[C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H
](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1
)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)
O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)
CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C
@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1(
[C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H
]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO[C@]1([C@H]([C
@@H]([C@H](O1)CO)O)O)CO)O)O)O)O"
},
{
urn {
label "Topological",
name "Polar Surface Area",
datatype double,
implementation "E_TPSA",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value fval { 304, 10, 1 }
},
{
urn {
label "Weight",
name "MonoIsotopic",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "6176.0178545"
}
},
count {
heavy-atom 419,
atom-chiral 153,
atom-chiral-def 153,
atom-chiral-undef 0,
bond-chiral 0,
bond-chiral-def 0,
bond-chiral-undef 0,
isotope-atom 0,
covalent-unit 1,
tautomers -1
}
}
}