2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-1-[3,4,5-tris(oxidanyl)phenyl]ethanone

Systemtic Name: 2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-1-[3,4,5-tris(oxidanyl)phenyl]ethanone Openeye Name: 2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2-hydroxy-1-(3,4,5-trihydroxyphenyl)ethanone CAS Name: 2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxy-2-oxanyl]-2-hydroxy-1-(3,4,5-trihydroxyphenyl)ethanone IUPAC Name: 2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]-2-hydroxy-1-(3,4,5-trihydroxyphenyl)ethanone Traditional Name: 2-[(2S,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2-hydroxy-1-(3,4,5-trihydroxyphenyl)ethanone Formula: C33H36O15 MolecularWeight: 672.62994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)C(C(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(C(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)OC)O

InChI

InChI=1S/C33H36O15/c1-43-22-9-13(3-5-18(22)34)30-16-11-46-31(17(16)12-45-30)14-4-6-21(23(10-14)44-2)47-33-29(42)26(39)28(41)32(48-33)27(40)24(37)15-7-19(35)25(38)20(36)8-15/h3-10,16-17,26-36,38-42H,11-12H2,1-2H3/t16-,17-,26-,27?,28-,29+,30+,31+,32+,33+/m0/s1