| Phytochemical Name : CID 10044294 |
| PCNDIDC0133 |
| Pubchem CID : 10044294 |
| Molecular formula: C15H24O10 |
| Canonical SMILES : CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
Synonymes : Harpagide|6926-08-5|(1S,4As,5R,7S)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol|MFCD00017306|AKOS016009011|AS-56149|(1S,4aS,5R,7S)-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,7a-tetrahydrocyclopenta[c]pyran-4a,5,7(1H)-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.000 |
| Log Po/w (XLOGP3) : -3.270 |
| Log Po/w (WLOGP) : -3.460 |
| Log Po/w (MLOGP) : -2.960 |
| Log Po/w (SILICOS-IT) : -3.150 |
| Consensus Log Po/w : -2.370 |