| Phytochemical Name : Nothofagin |
| PCNDIDN0101 |
| Pubchem CID : 21722188 |
| Molecular formula: C21H24O10 |
| Canonical SMILES : C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O |
Synonymes : Nothofagin|11023-94-2|CHEMBL4082869|3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one|3'-C-glucosylphloretin|1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one|DTXSID401027257|BDBM50235138|NSC791582|AT36573|NSC-791582|HY-113919|CS-0064186|(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-glucitol|E7F |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.790 |
| Log Po/w (XLOGP3) : 0.170 |
| Log Po/w (WLOGP) : -0.490 |
| Log Po/w (MLOGP) : -1.830 |
| Log Po/w (SILICOS-IT) : 0.110 |
| Consensus Log Po/w : -0.560 |