6-C-Beta-L-Boivinopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL462245 | |
| PubChem: | 44566792 | |
| IUPAC: | 6-[(2R,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-16(31-18)10-3-4-15(29-2)11(23)5-10/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3/t9-,14+,17+,21+/m0/s1 | |
| Standard InChI Key: | VOXHZFGNVVKUEG-NRGAKEJDSA-N | |
| SMILES: | COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)[C@H]1C[C@@H](O)[C@@H]([C@@H](O1)C)O)O | |
Molecular propeties
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| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 430.13 | |
| Topological polar surface area: | 146 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.318 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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