| Phytochemical Name : Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin |
| PCNDIDG0011 |
| Pubchem CID : 71664720 |
| Molecular formula: C45H38O21 |
| Canonical SMILES : C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O |
Synonymes : Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin|CHEBI:172852|DTXSID601099470|[Gallocatechin-(4alpha->8)]2-gallocatechin|Gallocatechin(4a->8)gallocatechin(4a->8)gallocatechin|(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-3,3',3'',4,4',4''-Hexahydro-2,2',2''-tris(3,4,5-trihydroxyphenyl)[4,8':4',8''-ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol|(2R,3S,4R)-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-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|4alpha,8':4'alpha,8''-Ter[(2R)-3beta,5,7-trihydroxy-3,4-dihydro-2alpha-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran]|87402-90-2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.420 |
| Log Po/w (XLOGP3) : 2.250 |
| Log Po/w (WLOGP) : 2.590 |
| Log Po/w (MLOGP) : -2.450 |
| Log Po/w (SILICOS-IT) : -0.100 |
| Consensus Log Po/w : 0.940 |