(-)-Epicatechin 3-O-(3'-O-Methyl)Gallate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL158521 | |
| PubChem: | 467296 | |
| IUPAC: | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate | |
| Standard InChI: | InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1 | |
| Standard InChI Key: | XGTBMCGGGJLOPS-IFMALSPDSA-N | |
| SMILES: | COc1cc(cc(c1O)O)C(=O)O[C@@H]1Cc2c(O)cc(cc2O[C@@H]1c1ccc(c(c1)O)O)O | |
Molecular propeties
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| AlogP: | 2.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 456.11 | |
| Topological polar surface area: | 166 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.174 | |
| Number of carbons: | 23 | |