Molecule ID: 16091460

IUPAC Name: 5-hydroxy-7-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

Description: The molecule is a glycosyloxyisoflavone that is genistein attached to alpha-L-6-deoxy-talopyranosyl residues at positions 7 and 4' respectively. Isolated from Kitasatospora kifunensis, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a glycosyloxyisoflavone and a hydroxyisoflavone. It derives from a genistein.

SMILES: C[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O

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

InChI: InChI=1S/C27H30O13/c1-10-19(29)22(32)24(34)26(37-10)39-13-5-3-12(4-6-13)15-9-36-17-8-14(7-16(28)18(17)21(15)31)40-27-25(35)23(33)20(30)11(2)38-27/h3-11,19-20,22-30,32-35H,1-2H3/t10-,11-,19+,20+,22+,23+,24+,25+,26-,27-/m0/s1

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: 0.1