| Phytochemical Name : 6''-Acetylapiin |
| PCNDIDOT0986 |
| Pubchem CID : 10531745 |
| Molecular formula: C28H30O15 |
| Canonical SMILES : CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)OC5C(C(CO5)(CO)O)O)O)O |
Synonymes : 6''-Acetylapiin|[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate|CHEBI:191677 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.540 |
| Log Po/w (XLOGP3) : -0.340 |
| Log Po/w (WLOGP) : -0.910 |
| Log Po/w (MLOGP) : -2.760 |
| Log Po/w (SILICOS-IT) : -0.210 |
| Consensus Log Po/w : -0.340 |