Glyasperin C
Representations & DB's id
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| ChEBI: | CHEBI:69089 | |
|---|---|---|
| ChEMBL: | CHEMBL1630857 | |
| PubChem: | 480859 | |
| IUPAC: | 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C21H24O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7,9-10,13,22-24H,6,8,11H2,1-3H3/t13-/m0/s1 | |
| Standard InChI Key: | RCZMWVKBVFOCEE-ZDUSSCGKSA-N | |
| SMILES: | COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 4.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 356.16 | |
| Topological polar surface area: | 79.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 21 | |