| Phytochemical Name : Paniculatin |
| PCNDIDP0017 |
| Pubchem CID : 169419 |
| Molecular formula: C27H30O15 |
| Canonical SMILES : C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
Synonymes : Paniculatin|32361-88-9|BRN 5210257|4H-1-Benzopyran-4-one, 6,8-di-beta-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-|AC1L53PR|CHEBI:7910|DTXSID301132166|5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one|LS-39536|Q27107614|6,8-Di-beta-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.070 |
| Log Po/w (XLOGP3) : -2.260 |
| Log Po/w (WLOGP) : -3.040 |
| Log Po/w (MLOGP) : -4.510 |
| Log Po/w (SILICOS-IT) : -1.800 |
| Consensus Log Po/w : -2.110 |