Glycyrin
Representations & DB's id
| ||
| ChEBI: | CHEBI:69086 | |
|---|---|---|
| ChEMBL: | CHEMBL132535 | |
| PubChem: | 480787 | |
| IUPAC: | 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one | |
| Standard InChI: | InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3 | |
| Standard InChI Key: | FWWGXZYUURXJLK-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(OC)cc2c1cc(c(=O)o2)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 4.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 382.14 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.227 | |
| Number of carbons: | 22 | |