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

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4R)-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-4-[(2R,3R,4S)-3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-4-[(2R,3R)-3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-8-yl]chroman-8-yl]chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-[(2R,3R,4R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-8-yl]chroman-8-yl]chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C58H52O30 MolecularWeight: 1229.01548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)OC7C(C(C(C(O7)COC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O)C1=CC(=C(C(=C1)O)O)O)O)O)O)C1=CC(=C(C(=C1)O)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O)C1=CC(=C(C(=C1)O)O)O)O)O)O)C1=CC(=C(C(=C1)O)O)O)O

InChI

InChI=1S/C58H52O30/c59-21-12-23(61)38(55-20(21)11-34(72)52(87-55)15-1-26(64)43(73)27(65)2-15)42-40-25(63)13-24(62)39(56(40)88-54(49(42)79)17-5-30(68)45(75)31(69)6-17)41-37-22(60)9-19(10-35(37)85-53(48(41)78)16-3-28(66)44(74)29(67)4-16)84-58-51(81)50(80)47(77)36(86-58)14-83-57(82)18-7-32(70)46(76)33(71)8-18/h1-10,12-13,34,36,41-42,47-54,58-81H,11,14H2/t34-,36-,41-,42+,47-,48-,49-,50+,51-,52-,53-,54-,58-/m1/s1