[(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-3,4-dihydro-2H-chromen-6-yl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-3,4-dihydro-2H-chromen-6-yl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-6-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-galloyloxy-5,7-dihydroxy-chroman-6-yl]-5,7-dihydroxy-chroman-3-yl] ester Formula: C44H34O20 MolecularWeight: 882.72876

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=C(C(=C21)O)C3=C4C(=C(C=C3O)O)CC(C(O4)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

Isomeric SMILES

C1[C@@H]([C@H](OC2=CC(=C(C(=C21)O)C3=C4C(=C(C=C3O)O)C[C@@H]([C@H](O4)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

InChI

InChI=1S/C44H34O20/c45-21-3-1-15(5-24(21)48)40-34(63-44(60)18-9-30(54)39(58)31(55)10-18)12-20-32(61-40)14-27(51)35(37(20)56)36-26(50)13-23(47)19-11-33(62-43(59)17-7-28(52)38(57)29(53)8-17)41(64-42(19)36)16-2-4-22(46)25(49)6-16/h1-10,13-14,33-34,40-41,45-58H,11-12H2/t33-,34-,40+,41+/m0/s1