| Phytochemical Name : thonningianin B |
| PCNDIDT0057 |
| Pubchem CID : 10101397 |
| Molecular formula: C35H30O17 |
| Canonical SMILES : C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
Synonymes : thonningianin B|CHEBI:66228|CHEMBL319853|CHEMBL509123|HY-N8678|BDBM50135739|CS-0148901|Q27134768|(10S,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione|13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-2,3,4,5,6,7,14,15-octahydroxy-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.650 |
| Log Po/w (XLOGP3) : 2.660 |
| Log Po/w (WLOGP) : 2.040 |
| Log Po/w (MLOGP) : -1.200 |
| Log Po/w (SILICOS-IT) : 0.670 |
| Consensus Log Po/w : 1.360 |