(1E,6E)-1-[4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-7-(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione

Systemtic Name: (1E,6E)-1-[4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-7-(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione Openeye Name: (1E,6E)-1-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione CAS Name: (1E,6E)-1-[4-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione IUPAC Name: (1E,6E)-1-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Traditional Name: (1E,6E)-1-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione Formula: C33H40O16 MolecularWeight: 692.6611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)OC)O

InChI

InChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)38)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)46-32-30(43)28(41)31(25(15-35)48-32)49-33-29(42)27(40)26(39)24(14-34)47-33/h3-12,24-35,38-43H,13-15H2,1-2H3/b7-3+,8-4+/t24-,25-,26-,27+,28-,29-,30-,31-,32-,33-/m1/s1