6-O-Galloyl-D-Glucose
Representations & DB's id
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| ChEBI: | CHEBI:65941 | |
|---|---|---|
| ChEMBL: | CHEMBL518124 | |
| PubChem: | 5317463 | |
| IUPAC: | [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate | |
| Standard InChI: | InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1 | |
| Standard InChI Key: | VGVDLJNNDOFWKT-JEUROIALSA-N | |
| SMILES: | O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -2.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 332.07 | |
| Topological polar surface area: | 177 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.462 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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