Molecule ID: 56680032

IUPAC Name: 4-[(2R,3S,4S,5R)-3,4-bis(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2,6-dimethoxyphenol

Description: The molecule is a lignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a lignan, a member of oxolanes, a member of methoxybenzenes, a member of phenols and a primary alcohol.

SMILES: COc1cc([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](CO)[C@H]2CO)cc(OC)c1O

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

InChI: InChI=1S/C23H30O9/c1-27-16-6-12(7-17(28-2)20(16)26)21-14(10-24)15(11-25)22(32-21)13-8-18(29-3)23(31-5)19(9-13)30-4/h6-9,14-15,21-22,24-26H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 1.6