Molecule ID: 122391239

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Description: The molecule is a flavone C-glycoside that consists of chrysoeriol carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively It has a role as a plant metabolite. It is a trihydroxyflavone, a polyphenol, a monomethoxyflavone and a flavone C-glycoside. It derives from a 4',5,7-trihydroxy-3'-methoxyflavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)c([C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(O)c([C@H]4OC[C@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O

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

InChI: InChI=1S/C26H28O14/c1-37-14-4-8(2-3-9(14)27)13-5-10(28)15-20(33)16(25-22(35)18(31)11(29)6-38-25)21(34)17(24(15)40-13)26-23(36)19(32)12(30)7-39-26/h2-5,11-12,18-19,22-23,25-27,29-36H,6-7H2,1H3/t11-,12-,18-,19-,22+,23+,25-,26+/m0/s1

Molecular Properties:
- Polar Surface Area: 236.0 Ų
- LogP: -2.2