92817
  -OEChem-04282423182D

 66 68  0     1  0  0  0  0  0999 V2000
    5.8671   -0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1271    0.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5919    2.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    1.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613   -0.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292    1.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4451    3.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3991    1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9588    4.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    4.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1761    0.1322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -0.8188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3671    0.7200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5580    0.1322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3351    1.4194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8181   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    1.7284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -3.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4940    2.7066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -3.8188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6070    0.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7509    3.3757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -3.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7998    3.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0567    3.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    0.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9195    1.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196   -0.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    1.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5270   -1.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3067   -1.5096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1572    1.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9548    2.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874    0.4196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207   -0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3405    3.5673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102    2.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4818    3.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7281    3.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1509   -0.6503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189    1.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5740    3.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094    1.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5484    4.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8038    5.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
 17  2  1  6  0  0  0
 21  2  1  1  0  0  0
 18  3  1  6  0  0  0
 22  3  1  6  0  0  0
  4 21  1  0  0  0  0
  4 31  1  0  0  0  0
  5 22  1  0  0  0  0
  5 32  1  0  0  0  0
 19  6  1  1  0  0  0
  6 52  1  0  0  0  0
  7 23  1  0  0  0  0
  7 57  1  0  0  0  0
 24  8  1  1  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  6  0  0  0
 10 60  1  0  0  0  0
 27 11  1  1  0  0  0
 11 61  1  0  0  0  0
 12 28  1  0  0  0  0
 12 62  1  0  0  0  0
 29 13  1  1  0  0  0
 13 63  1  0  0  0  0
 30 14  1  6  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 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 28  1  6  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 30  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 32  1  0  0  0  0
 30 49  1  0  0  0  0
 31 33  1  6  0  0  0
 31 50  1  0  0  0  0
 32 34  1  1  0  0  0
 32 51  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92817

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAASAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-dimethylol-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QWIZNVHXZXRPDR-WSCXOGSTSA-N

> <PUBCHEM_XLOGP3>
-5.8

> <PUBCHEM_EXACT_MASS>
504.16903493

> <PUBCHEM_MOLECULAR_FORMULA>
C18H32O16

> <PUBCHEM_MOLECULAR_WEIGHT>
504.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)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>
14

> <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  6
27  11  5
29  13  5
30  14  6
17  2  6
21  2  5
20  28  6
18  3  6
22  3  6
31  33  6
32  34  5
19  6  5
24  8  5
25  9  6

$$$$
