Glycyrdione A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2437373 | |
| PubChem: | 15742118 | |
| IUPAC: | 1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propane-1,3-dione | |
| Standard InChI: | InChI=1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-12,14,26,28,30H,7-8,13H2,1-4H3 | |
| Standard InChI Key: | VDOHBGQSFOWYTB-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)C(=O)CC(=O)c1cc(CC=C(C)C)c(cc1O)O)C | |
Molecular propeties
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| AlogP: | 5.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 408.19 | |
| Topological polar surface area: | 94.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.28 | |
| Number of carbons: | 25 | |