24836924
  -OEChem-05042404182D

 95 98  0     1  0  0  0  0  0999 V2000
    8.0622   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942   -2.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -2.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603   -2.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942   -4.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    3.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    3.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -3.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -4.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -3.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    5.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 21  1  0  0  0  0
  2 29  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5 29  1  0  0  0  0
  5 36  1  0  0  0  0
  6 30  1  0  0  0  0
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  7 23  1  0  0  0  0
  7 72  1  0  0  0  0
  8 24  1  0  0  0  0
  8 73  1  0  0  0  0
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  9 42  1  0  0  0  0
 10 27  1  0  0  0  0
 10 79  1  0  0  0  0
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 15 40  1  0  0  0  0
 15 47  1  0  0  0  0
 16 38  1  0  0  0  0
 16 85  1  0  0  0  0
 17 39  1  0  0  0  0
 17 86  1  0  0  0  0
 18 41  1  0  0  0  0
 18 87  1  0  0  0  0
 19 44  1  0  0  0  0
 19 91  1  0  0  0  0
 20 45  1  0  0  0  0
 20 95  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 30  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 31  1  0  0  0  0
 27 54  1  0  0  0  0
 28 41  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 34  1  0  0  0  0
 31 59  1  0  0  0  0
 32 33  1  0  0  0  0
 32 60  1  0  0  0  0
 33 35  1  0  0  0  0
 33 61  1  0  0  0  0
 34 43  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 36 44  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 37 65  1  0  0  0  0
 38 39  1  0  0  0  0
 38 66  1  0  0  0  0
 39 40  1  0  0  0  0
 39 67  1  0  0  0  0
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 40 68  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
 42 45  1  0  0  0  0
 42 71  1  0  0  0  0
 43 74  1  0  0  0  0
 43 75  1  0  0  0  0
 43 76  1  0  0  0  0
 44 77  1  0  0  0  0
 44 78  1  0  0  0  0
 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
 46 88  1  0  0  0  0
 46 89  1  0  0  0  0
 46 90  1  0  0  0  0
 47 92  1  0  0  0  0
 47 93  1  0  0  0  0
 47 94  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24836924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
950

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
20

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEgAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4CwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]oxy]-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]oxymethyl]-3,4-dihydroxy-2-oxanyl]oxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(hydroxymethyl)-5-[5-[6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-[[6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-oxane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[5-(3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl)oxy-6-[(3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl)oxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-2-methyl-6-methylol-tetrahydropyran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H48O20/c1-8-13(31)14(32)23(11(6-30)42-8)46-27-20(38)17(35)24(47-26-19(37)16(34)22(40-3)10(5-29)44-26)12(45-27)7-41-25-18(36)15(33)21(39-2)9(4-28)43-25/h8-38H,4-7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
YJISHJVIRFPGGN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-7.5

> <PUBCHEM_EXACT_MASS>
692.27389392

> <PUBCHEM_MOLECULAR_FORMULA>
C27H48O20

> <PUBCHEM_MOLECULAR_WEIGHT>
692.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
306

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
692.27389392

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
47

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
20

> <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>
27  10  3
31  11  3
35  12  3
32  13  3
33  14  3
40  15  3
38  16  3
39  17  3
21  2  3
29  2  3
22  30  3
28  41  3
25  3  3
26  3  3
34  43  3
36  44  3
42  45  3
37  6  3
23  7  3
24  8  3

$$$$