Gallocatechin
Representations & DB's id
| ||
| ChEBI: | CHEBI:31018 | |
|---|---|---|
| ChEMBL: | CHEMBL125743 | |
| PubChem: | 65084 | |
| IUPAC: | (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | |
| Standard InChI: | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 | |
| Standard InChI Key: | XMOCLSLCDHWDHP-SWLSCSKDSA-N | |
| SMILES: | Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 1.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 306.07 | |
| Topological polar surface area: | 131 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 15 | |