| Phytochemical Name : Procyanidin B-5 3,3'-di-O-gallate |
| PCNDIDP0164 |
| Pubchem CID : 3086518 |
| Molecular formula: C44H34O20 |
| Canonical SMILES : C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
Synonymes : Procyanidin B-5 3,3'-di-O-gallate|106533-60-2|[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate|3,3'-Di-O-galloylprocyanidin B5|DTXSID20147643|CHEBI:185582|Procyanidin B5 3,3'-di-O-gallate|AKOS040762692|Procyanidin B-5 3,3/'-di-O-gallate|3-O-Galloylepicatechin-(4beta->6)-epicatechin-3-O-gallate|(2R,2'R,3R,3'R,4S)-2,2'-bis(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate)|(2R,2'R,4S)-2alpha,2'alpha-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-3alpha,3'alpha-di(galloyloxy)-4,6'-bi[2H-1-benzopyran]-5,5',7,7'-tetrol|(2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-4-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.150 |
| Log Po/w (XLOGP3) : 4.700 |
| Log Po/w (WLOGP) : 4.310 |
| Log Po/w (MLOGP) : -0.940 |
| Log Po/w (SILICOS-IT) : 1.370 |
| Consensus Log Po/w : 2.120 |

