2-hydroxy-4-oxo-2-{2-oxo-2-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]ethyl}-4-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butanoic acid

CAS: 174972-80-6

Formula: C32H40O19

SMILES: OC[C@H]1O[C@@H](OC2=CC=C(COC(=O)CC(O)(CC(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: 2-hydroxy-4-oxo-2-{2-oxo-2-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]ethyl}-4-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butanoic acid

InChI: InChI=1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,

Composition: C (52.75%), H (5.53%), O (41.72%)

Molar Mass: 728.653

Atom Count: 91

Heavy Atom Count: 51