| Phytochemical Name : 7-O-Methylaloeresin A |
| PCNDIDOT1030 |
| Pubchem CID : 637110 |
| Molecular formula: C29H30O11 |
| Canonical SMILES : CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC |
Synonymes : 7-O-Methylaloeresin A|329361-25-3|O-Methylaloeresin A, 7-|[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate|O-MethylaloeresinA,7-|HY-N2214|AKOS037515157|CS-0019533 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.390 |
| Log Po/w (XLOGP3) : 1.350 |
| Log Po/w (WLOGP) : 1.290 |
| Log Po/w (MLOGP) : -0.800 |
| Log Po/w (SILICOS-IT) : 3.380 |
| Consensus Log Po/w : 1.720 |