Arbutin
Representations & DB's id
| ||
| ChEBI: | CHEBI:18305 | |
|---|---|---|
| ChEMBL: | CHEMBL232202 | |
| PubChem: | 440936 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 | |
| Standard InChI Key: | BJRNKVDFDLYUGJ-RMPHRYRLSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -1.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 272.09 | |
| Topological polar surface area: | 120 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 12 | |