| Phytochemical Name : Agrimoniin |
| PCNDIDA0036 |
| Pubchem CID : 16129621 |
| Molecular formula: C82H54O52 |
| Canonical SMILES : C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)OC6C7C(C8C(O6)COC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O7)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
Synonymes : Agrimoniin|82203-01-8|CHEBI:581177|CHEMBL524674|C10210|C82H54O52|C82-H54-O52|D85140|Q27105176|.alpha.-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(2-(5-(((2,3:4,6-bis-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-.alpha.-D-glucopyranosyl)oxy)carbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate), stereoisomer|[dodecahydroxy(tetraoxo)[?]yl] 2-[5-[dodecahydroxy(tetraoxo)[?]yl]oxycarbonyl-2,3-dihydroxy-phenoxy]-3,4,5-trihydroxy-benzoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.000 |
| Log Po/w (XLOGP3) : 0.000 |
| Log Po/w (WLOGP) : 0.000 |
| Log Po/w (MLOGP) : 0.000 |
| Log Po/w (SILICOS-IT) : 0.000 |
| Consensus Log Po/w : 0.000 |
| Log S (ESOL) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |
| Log S (Ali) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |
| Log S (SILICOS-IT) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |