133126476
  -OEChem-04282423342D

 66 68  0     1  0  0  0  0  0999 V2000
    7.7331   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0950    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
   12.9292    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -2.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991   -2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -1.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    1.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0632    0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    2.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0250    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
    9.2531    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    2.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    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
   10.0021   -2.5950    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
    3.7320   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
 21  2  1  1  0  0  0
  2 31  1  0  0  0  0
 23  3  1  1  0  0  0
  3 26  1  0  0  0  0
  4 23  1  0  0  0  0
  4 30  1  0  0  0  0
  5 22  1  0  0  0  0
  5 33  1  0  0  0  0
 18  6  1  1  0  0  0
  6 56  1  0  0  0  0
 19  7  1  6  0  0  0
  7 57  1  0  0  0  0
 20  8  1  1  0  0  0
  8 58  1  0  0  0  0
 24  9  1  1  0  0  0
  9 60  1  0  0  0  0
 25 10  1  1  0  0  0
 10 59  1  0  0  0  0
 27 11  1  6  0  0  0
 11 61  1  0  0  0  0
 28 12  1  1  0  0  0
 12 62  1  0  0  0  0
 29 13  1  6  0  0  0
 13 63  1  0  0  0  0
 32 14  1  1  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 26  1  6  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  1  0  0  0  0
 22 31  1  6  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 32  1  0  0  0  0
 29 48  1  0  0  0  0
 30 34  1  6  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 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>
133126476

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
641

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-6-[[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-3,4,5-trihydroxy-6-[[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_NAME>
(3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16?,17+,18+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FBJQEBRMDXPWNX-IGSOQDMUSA-N

> <PUBCHEM_XLOGP3_AA>
-6.9

> <PUBCHEM_EXACT_MASS>
504.16903493

> <PUBCHEM_MOLECULAR_FORMULA>
C18H32O16

> <PUBCHEM_MOLECULAR_WEIGHT>
504.4

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)OC[C@H]3[C@@H]([C@H]([C@@H](C(O3)O)O)O)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>
14

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
25  10  5
27  11  6
28  12  5
29  13  6
32  14  5
33  15  3
17  26  6
21  2  5
22  31  6
23  3  5
30  34  6
18  6  5
19  7  6
20  8  5
24  9  5

$$$$
