Ligand |
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| Ligand Name: 3,4‐epoxybutyl‐beta‐D‐xyloside | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB10 | PubChem: 5287871 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL1231611 | |
| Canonical SMILES: O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)OCC[C@@H]2CO2 | ||
| Standard InChI: InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1 | ||
| Molecular Formula: C9H16O6 | Mol. Weight: 220.09468 | logP: -1.7691 |
| HBD: 3 | HBA: 6 | |
| #Rotatable Bonds: 4 | TPSA: 91.68 | |