[(2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS: 112516-04-8

Formula: C31H38O16

SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)C=CC3=CC=C(O)C(O)=C3)O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@@H]2OC(C)=O)[C@H](O)[C@H](O)[C@H]1O

IUPAC: [(2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChI: InChI=1S/C31H38O16/c1-14-24(38)26(40)27(41)30(44-14)47-28-25(39)22(13-43-23(37)8-5-16-3-6-18(33)20(35)11-16)46-31(29(28)45-15(2)32)42-10-9-17-4-7-19(34)21(36)12-17/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,

Composition: C (55.85%), H (5.75%), O (38.40%)

Molar Mass: 666.629

Atom Count: 85

Heavy Atom Count: 47