4-O-Beta-D-Glucopyranosyl-1,7-Dihydroxyxanthone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2436933 | |
| PubChem: | 72375429 | |
| IUPAC: | 1,7-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C19H18O10/c20-6-12-15(24)16(25)17(26)19(29-12)28-11-4-2-9(22)13-14(23)8-5-7(21)1-3-10(8)27-18(11)13/h1-5,12,15-17,19-22,24-26H,6H2/t12-,15-,16+,17-,19-/m1/s1 | |
| Standard InChI Key: | PSDBZYXVXTYMAQ-PITHAFQJSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2ccc(c3c2oc2ccc(cc2c3=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.46 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 406.09 | |
| Topological polar surface area: | 166 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.316 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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