4-Hydroxybenzyl-Beta-D-Glucopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3609099 | |
| PubChem: | 49871127 | |
| IUPAC: | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-1-3-8(15)4-2-7/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 | |
| Standard InChI Key: | WGBHVCJJFIVFAL-UJPOAAIJSA-N | |
| SMILES: | OC[C@H]1O[C@@H](OCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -1.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 286.11 | |
| Topological polar surface area: | 120 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.538 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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