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

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[2,6-bis(oxidanyl)-4-[[3,4,5-tris(oxidanyl)phenyl]carbonyloxymethyl]phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]phenoxy]-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-[2,6-dihydroxy-4-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]phenoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-[4-(galloyloxymethyl)-2,6-dihydroxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C27H26O17 MolecularWeight: 622.48514

Click to see the large picture

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)O)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O

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)O)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

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