440946
  -OEChem-05072401182D

 66 68  0     1  0  0  0  0  0999 V2000
    5.0298   -0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    1.1541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -3.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819    2.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1308   -2.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787    1.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031   -5.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6510    3.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    4.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398    2.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4732   -2.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9732   -4.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0720    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -1.1938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.2427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -1.1938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8909   -2.7073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3909    1.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0819   -3.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3086   -2.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3909    1.8586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3909   -4.2461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3909   -4.2461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6999    2.8096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8909    3.3974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8031    1.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -1.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787   -5.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    1.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -3.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0033    1.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6724   -4.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0033   -4.1492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7969    3.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6322    0.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604    0.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    1.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496   -1.3023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -1.6265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4214   -5.3269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496   -5.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9094    3.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    4.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.4009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953    1.1144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553   -5.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1117    2.7038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865    4.1416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754    2.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8376   -1.5012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376   -5.4522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4364    5.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
 17  2  1  6  0  0  0
  2 30  1  0  0  0  0
 21  3  1  6  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 22  1  0  0  0  0
  5 29  1  0  0  0  0
 19  6  1  6  0  0  0
  6 56  1  0  0  0  0
 20  7  1  1  0  0  0
  7 57  1  0  0  0  0
 23  8  1  6  0  0  0
  8 58  1  0  0  0  0
 25  9  1  6  0  0  0
  9 59  1  0  0  0  0
 26 10  1  1  0  0  0
 10 60  1  0  0  0  0
 28 11  1  1  0  0  0
 11 61  1  0  0  0  0
 29 12  1  1  0  0  0
 12 62  1  0  0  0  0
 13 31  1  0  0  0  0
 13 63  1  0  0  0  0
 14 32  1  0  0  0  0
 14 64  1  0  0  0  0
 15 33  1  0  0  0  0
 15 65  1  0  0  0  0
 16 34  1  0  0  0  0
 16 66  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  6  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  1  0  0  0  0
 22 30  1  1  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 28  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 33  1  6  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 34  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
440946

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
684

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAASJEgAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-5-[[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-5-[[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl]oxymethyl]-2-methylol-tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZFTFOHBYVDOAMH-XNOIKFDKSA-N

> <PUBCHEM_XLOGP3_AA>
-6

> <PUBCHEM_EXACT_MASS>
504.16903493

> <PUBCHEM_MOLECULAR_FORMULA>
C18H32O16

> <PUBCHEM_MOLECULAR_WEIGHT>
504.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(O3)(CO)O)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
269

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
504.16903493

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
12

> <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>
26  10  5
28  11  5
29  12  5
18  24  6
17  2  6
22  30  5
27  33  6
21  3  6
19  6  6
20  7  5
23  8  6
25  9  6

$$$$