Beta-D-Glucopyranosyl-(Z)-3-Hexenol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3609350 | |
| PubChem: | 5318045 | |
| IUPAC: | (2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C12H22O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h3-4,8-16H,2,5-7H2,1H3/b4-3-/t8-,9-,10+,11-,12-/m1/s1 | |
| Standard InChI Key: | OZIPFYKAIOOVEJ-ODWUMMNUSA-N | |
| SMILES: | CC/C=CCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 262.14 | |
| Topological polar surface area: | 99.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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