| Phytochemical Name : thonningianin A |
| PCNDIDT0056 |
| Pubchem CID : 10328286 |
| Molecular formula: C42H34O21 |
| Canonical SMILES : C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O |
Synonymes : thonningianin A|271579-11-4|CHEBI:66227|[(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate|CHEMBL510229|HY-N4084|BDBM50459497|AKOS032946059|MS-31623|CS-0032081|Q27134767 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.740 |
| Log Po/w (XLOGP3) : 3.830 |
| Log Po/w (WLOGP) : 3.020 |
| Log Po/w (MLOGP) : -1.510 |
| Log Po/w (SILICOS-IT) : 0.810 |
| Consensus Log Po/w : 1.780 |