Glyasperin D
Representations & DB's id
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| ChEBI: | CHEBI:69084 | |
|---|---|---|
| ChEMBL: | CHEMBL1563332 | |
| PubChem: | 480860 | |
| IUPAC: | 4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1 | |
| Standard InChI Key: | DDMAUIOCNQXFHL-AWEZNQCLSA-N | |
| SMILES: | COc1c2C[C@@H](COc2cc(c1CC=C(C)C)OC)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 4.34 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 370.18 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 22 | |