Fustin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL470267 | |
| PubChem: | 5317435 | |
| IUPAC: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1 | |
| Standard InChI Key: | FNUPUYFWZXZMIE-LSDHHAIUSA-N | |
| SMILES: | Oc1ccc2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 1.48 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 288.06 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |