(+)-Secoisolariciresinol
Representations & DB's id
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| ChEBI: | CHEBI:65004 | |
|---|---|---|
| ChEMBL: | CHEMBL368347 | |
| PubChem: | 65373 | |
| IUPAC: | (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol | |
| Standard InChI: | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 | |
| Standard InChI Key: | PUETUDUXMCLALY-HOTGVXAUSA-N | |
| SMILES: | OC[C@@H]([C@@H](Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 2.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 362.17 | |
| Topological polar surface area: | 99.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |