| Phytochemical Name : (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one |
| PCNDIDOT0140 |
| Pubchem CID : 73192 |
| Molecular formula: C13H14O9 |
| Canonical SMILES : C1=C2C(=C(C(=C1O)O)O)C3C(C(C(C(O3)CO)O)O)OC2=O |
Synonymes : (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one|Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-|BS9UP8B38P|UNII-BS9UP8B38P|CHEMBL463164|DTXSID30229787|Q7050291 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.310 |
| Log Po/w (XLOGP3) : -1.290 |
| Log Po/w (WLOGP) : -1.830 |
| Log Po/w (MLOGP) : -1.930 |
| Log Po/w (SILICOS-IT) : -1.490 |
| Consensus Log Po/w : -1.370 |