| Phytochemical Name : Chrysophanein |
| PCNDIDC0123 |
| Pubchem CID : 6324923 |
| Molecular formula: C21H20O9 |
| Canonical SMILES : CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=CC=C4O |
Synonymes : Chrysophanein|4839-60-5|Chrysophanol 1-o-glucoside|Chrysophanol 1-glucoside|ChrysophaneinChrysophanol-1-beta-D-glucopyranoside|8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione|CHEMBL112709|CHEBI:191585|DTXSID301317562|Chrysophanol-1-O-beta-D-glucoside|HY-N4151|MFCD28964227|MS-27237|CS-0032242|Chrysophanein;Chrysophanol-1--D-glucopyranoside|F17663|Chrysophanein;Chrysophanol-1-|A-D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 1.270 |
| Log Po/w (WLOGP) : -0.350 |
| Log Po/w (MLOGP) : -1.260 |
| Log Po/w (SILICOS-IT) : 0.920 |
| Consensus Log Po/w : 0.510 |