| Phytochemical Name : Trifolirhizin |
| PCNDIDT0096 |
| Pubchem CID : 442827 |
| Molecular formula: C22H22O10 |
| Canonical SMILES : C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6 |
Synonymes : Trifolirhizin|6807-83-6|Sophojaponicin B2|(-)-maackiain-3-O-glucoside|CHEBI:9714|trifolrhizin|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol|(-)-Maackiain 3-O-glucoside|beta-D-Glucopyranoside, 6a,12a-dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-yl, (6aR-cis)-|CHEMBL454878|MFCD00238700|ACon1_002295|DTXSID70987516|HY-N0616|s9425|AKOS030632879|CCG-269193|NCGC00169980-01|NCGC00169980-03|Trifolirhizin, >=95% (LC/MS-ELSD)|CS-0009612|Q-100766|BRD-K43094903-001-01-3|Q27108480|(2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.830 |
| Log Po/w (XLOGP3) : 0.810 |
| Log Po/w (WLOGP) : -0.120 |
| Log Po/w (MLOGP) : -0.450 |
| Log Po/w (SILICOS-IT) : 0.350 |
| Consensus Log Po/w : 0.680 |