| Phytochemical Name : Gallocatechin-(4alpha->8)-epigallocatechin |
| PCNDIDG0010 |
| Pubchem CID : 442682 |
| Molecular formula: C30H26O14 |
| Canonical SMILES : C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O |
Synonymes : Gallocatechin-(4alpha->8)-epigallocatechin|68964-95-4|CHEBI:5270|(2R,3R)-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol|CHEMBL349509|DTXSID80331905|2-(3,4,5-trihydroxyphenyl)-4-(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-8-yl)chromane-3,5,7-triol|LMPK12030010|Q27106698|(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-8-yl]chromane-3,5,7-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.780 |
| Log Po/w (XLOGP3) : 1.660 |
| Log Po/w (WLOGP) : 1.760 |
| Log Po/w (MLOGP) : -1.220 |
| Log Po/w (SILICOS-IT) : 0.200 |
| Consensus Log Po/w : 0.840 |