70680335
  -OEChem-04232417002D

 78 80  0     1  0  0  0  0  0999 V2000
   10.3312   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651    1.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312    2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0632    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  1  0  0  0
 20  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 26  1  0  0  0  0
  3 31  1  0  0  0  0
 29  4  1  6  0  0  0
  4 32  1  0  0  0  0
  5 29  1  0  0  0  0
  5 34  1  0  0  0  0
 21  6  1  6  0  0  0
  6 64  1  0  0  0  0
 23  7  1  6  0  0  0
  7 65  1  0  0  0  0
 24  8  1  1  0  0  0
  8 66  1  0  0  0  0
 25  9  1  1  0  0  0
  9 67  1  0  0  0  0
 30 10  1  1  0  0  0
 10 68  1  0  0  0  0
 31 11  1  6  0  0  0
 11 69  1  0  0  0  0
 33 12  1  6  0  0  0
 12 70  1  0  0  0  0
 13 35  1  0  0  0  0
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 14 36  1  0  0  0  0
 14 72  1  0  0  0  0
 15 37  2  0  0  0  0
 16 38  2  0  0  0  0
 27 17  1  1  0  0  0
 17 37  1  0  0  0  0
 17 60  1  0  0  0  0
 28 18  1  6  0  0  0
 18 38  1  0  0  0  0
 18 61  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 27  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 32  1  1  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
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 26 48  1  0  0  0  0
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 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 33  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 36  1  1  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70680335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
854

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-2,4-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-5-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-6-[[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ILSGXQJDFRRBKD-BFOOFDDQSA-N

> <PUBCHEM_XLOGP3_AA>
-6.9

> <PUBCHEM_EXACT_MASS>
586.22213313

> <PUBCHEM_MOLECULAR_FORMULA>
C22H38N2O16

> <PUBCHEM_MOLECULAR_WEIGHT>
586.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
286

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
586.22213313

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
15

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
19  1  5
20  1  5
30  10  5
31  11  6
33  12  6
27  17  5
28  18  6
22  32  5
26  35  6
34  36  5
29  4  6
21  6  6
23  7  6
24  8  5
25  9  5

$$$$