Molecule ID: 6918832

IUPAC Name: [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate

Description: The molecule is a quercetin O-glycoside that consists of quercetin attached to a (2'',3''-digalloyl)-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Euphorbia lunulata, it exhibits insulin-like activity. It has a role as a plant metabolite. It is a beta-D-galactoside, a gallate ester and a quercetin O-glycoside.

SMILES: O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

SELFIES: [O][=C][Branch2][#Branch1][C][O][C@H1][C@H1][Branch2][Ring2][Branch2][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][=O][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]

InChI: InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27+,30+,32-,35+/m1/s1

Molecular Properties:
- Polar Surface Area: 340.0 Ų
- LogP: 2.7