[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-oxidanyl-5,6-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-oxidanyl-5,6-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5,6-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6R)-5,6-digalloyloxy-4-hydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C27H24O18 MolecularWeight: 636.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(OC(C(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO

Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO

InChI

InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21+,22-,23-,27-/m1/s1