Picein
Representations & DB's id
| ||
| ChEBI: | CHEBI:8199 | |
|---|---|---|
| ChEMBL: | CHEMBL1512620 | |
| PubChem: | 92123 | |
| IUPAC: | 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone | |
| Standard InChI: | InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1 | |
| Standard InChI Key: | GOZCEKPKECLKNO-RKQHYHRCSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -0.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 298.11 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 14 | |