| Phytochemical Name : Paeonolide |
| PCNDIDP0007 |
| Pubchem CID : 442923 |
| Molecular formula: C20H28O12 |
| Canonical SMILES : CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O |
Synonymes : Paeonolide|72520-92-4|CHEMBL1080061|CHEBI:7891|C10715|1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone|AC1L9DNN|DTXSID20993369|CHEBI:718640|HY-N2156|XCA52092|BDBM50310721|MFCD20265600|AKOS030573577|CS-0019456|Q27107606|2-Acetyl-5-methoxyphenyl 6-O-pentopyranosylhexopyranoside|1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]ethanone |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.680 |
| Log Po/w (XLOGP3) : -2.660 |
| Log Po/w (WLOGP) : -2.460 |
| Log Po/w (MLOGP) : -3.040 |
| Log Po/w (SILICOS-IT) : -1.810 |
| Consensus Log Po/w : -1.660 |