Molecule ID: 12310688

IUPAC Name: 4-[(2R,4S,5S)-5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol

Description: The molecule is a norlignan that is a derivative of sugiresinol in which the aromatic ring B has an additional hydroxy substituent. It derives from a sugiresinol.

SMILES: Oc1ccc([C@H]2C[C@@H](c3ccc(O)c(O)c3)[C@H](O)CO2)cc1

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

InChI: InChI=1S/C17H18O5/c18-12-4-1-10(2-5-12)17-8-13(16(21)9-22-17)11-3-6-14(19)15(20)7-11/h1-7,13,16-21H,8-9H2/t13-,16+,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 1.8