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

Systemtic Name: [(2R,3S,4R,5R,6S)-6-[4-(hydroxymethyl)-2,6-bis(oxidanyl)phenoxy]-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4R,5R,6S)-6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-4,5-dihydroxy-3-(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)-6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-4,5-dihydroxy-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-4,5-dihydroxy-3-(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-(2,6-dihydroxy-4-methylol-phenoxy)-3-galloyloxy-4,5-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C27H26O17 MolecularWeight: 622.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)CO

Isomeric SMILES

C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)CO

InChI

InChI=1S/C27H26O17/c28-7-9-1-16(33)23(17(34)2-9)44-27-22(38)21(37)24(43-26(40)11-5-14(31)20(36)15(32)6-11)18(42-27)8-41-25(39)10-3-12(29)19(35)13(30)4-10/h1-6,18,21-22,24,27-38H,7-8H2/t18-,21-,22-,24-,27+/m1/s1