Molecule ID: 54672535

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Description: The molecule is a quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnopyranosyl residue at position 7 and a alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl residue at position 3 via glycosidic linkages. It has been isolated from Anthyllis hermanniae. It has a role as a plant metabolite. It is an alpha-L-rhamnoside, a quercetin O-glycoside and a trihydroxyflavone.

SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C32H38O19/c1-9-19(37)23(41)25(43)30(46-9)48-12-6-15(35)18-17(7-12)49-27(11-3-4-13(33)14(34)5-11)28(22(18)40)50-32-29(21(39)16(36)8-45-32)51-31-26(44)24(42)20(38)10(2)47-31/h3-7,9-10,16,19-21,23-26,29-39,41-44H,8H2,1-2H3/t9-,10-,16-,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1

Molecular Properties:
- Polar Surface Area: 304.0 Ų
- LogP: -2.0