Glycyrol
Representations & DB's id
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| ChEBI: | CHEBI:80832 | |
|---|---|---|
| ChEMBL: | CHEMBL132695 | |
| PubChem: | 5320083 | |
| IUPAC: | 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one | |
| Standard InChI: | InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 | |
| Standard InChI Key: | LWESBHWAOZORCQ-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(O)cc2c1c1oc3c(c1c(=O)o2)ccc(c3)O | |
Molecular propeties
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| AlogP: | 4.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 366.11 | |
| Topological polar surface area: | 89.1 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |