50909266
  -OEChem-10112120572D

 78 82  0     1  0  0  0  0  0999 V2000
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    6.2764    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9906   -6.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966    4.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
50909266

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
819

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAASAAABUAAAGgAACAAADRSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNNyKGMRqCeCOlwBULuAfA4PwOoAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-hydroxy-3-methoxy-phenyl)-2-[4-[3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]propane-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3<I>a</I>,4,6,6<I>a</I>-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

> <PUBCHEM_IUPAC_NAME>
1-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2,6-dimethoxy-4-[3-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]phenoxy]-1-(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-hydroxy-3-methoxy-phenyl)-2-[4-[3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]propane-1,3-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
DVTIDVKFFJRCAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
584.22576196

> <PUBCHEM_MOLECULAR_FORMULA>
C31H36O11

> <PUBCHEM_MOLECULAR_WEIGHT>
584.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC

> <PUBCHEM_CACTVS_TPSA>
146

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
584.22576196

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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>
12  17  3
13  16  3
14  18  3
15  19  3
18  20  8
18  21  8
19  22  8
19  23  8
20  25  8
21  24  8
22  26  8
23  27  8
24  28  8
25  28  8
26  29  8
27  29  8
30  35  3
36  37  8
36  38  8
37  39  8
38  40  8
39  41  8
40  41  8
31  8  3

$$$$
