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

Systemtic Name: [(2S,3R,4S,5R,6R)-2-[3,4-bis(oxidanyl)-5-[2,3,4-tris(oxidanyl)phenoxy]phenyl]carbonyloxy-6-(hydroxymethyl)-5-oxidanyl-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-4-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2S,3R,4S,5R,6R)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2-[[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)phenyl]-oxomethoxy]-5-hydroxy-6-(hydroxymethyl)-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-3-galloyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C33H28O21 MolecularWeight: 760.56282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1O)O)O)OC2=CC(=CC(=C2O)O)C(=O)OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1O)O)O)OC2=CC(=CC(=C2O)O)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

InChI

InChI=1S/C33H28O21/c34-9-21-27(46)28(52-30(47)10-3-14(36)22(41)15(37)4-10)29(53-31(48)11-5-16(38)23(42)17(39)6-11)33(51-21)54-32(49)12-7-18(40)24(43)20(8-12)50-19-2-1-13(35)25(44)26(19)45/h1-8,21,27-29,33-46H,9H2/t21-,27-,28+,29-,33+/m1/s1