Sigmoidin B
Representations & DB's id
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| ChEBI: | CHEBI:66483 | |
|---|---|---|
| ChEMBL: | CHEMBL229454 | |
| PubChem: | 73205 | |
| IUPAC: | (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1 | |
| Standard InChI Key: | SFQIGPZCFNTPOD-KRWDZBQOSA-N | |
| SMILES: | CC(=CCc1cc(cc(c1O)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C | |
Molecular propeties
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| AlogP: | 3.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 356.13 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |