[(2R,3S,4R,5R,6S)-3,4-bis(oxidanyl)-5-[(E)-3-phenylprop-2-enoyl]oxy-6-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3,4-bis(oxidanyl)-5-[(E)-3-phenylprop-2-enoyl]oxy-6-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[(E)-1-oxo-3-phenylprop-2-enoxy]-6-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6S)-6-galloyloxy-3,4-dihydroxy-5-[(E)-3-phenylacryloyl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C29H26O15 MolecularWeight: 614.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(OC2OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

InChI

InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+/t20-,24-,25-,26-,29+/m1/s1