| Phytochemical Name : 8-O-Acetylharpagide |
| PCNDIDOT1046 |
| Pubchem CID : 9978650 |
| Molecular formula: C17H26O11 |
| Canonical SMILES : CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C |
Synonymes : 8-O-Acetylharpagide|6926-14-3|8-Acetylharpagide|Acetylharpagide|3-Acetylharpagide|8-?O-?Acetylharpagide|CHEMBL523290|8-OAc-harpagide|8--cetylharpagide|MLS002473158|MEGxp0_000602|ACon1_000486|DTXSID101346466|HMS2198M04|HY-N0757|BDBM50250347|MFCD03700750|s9474|AKOS030530356|NCGC00169032-01|NCGC00169032-03|AC-34969|BS-17945|SMR001397250|8-Acetylharpagide, >=85% (LC/MS-ELSD)|CS-0009785|NCGC00169032-03_C17H26O11_(1S,4aS,5R,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.180 |
| Log Po/w (XLOGP3) : -2.690 |
| Log Po/w (WLOGP) : -2.890 |
| Log Po/w (MLOGP) : -2.520 |
| Log Po/w (SILICOS-IT) : -2.670 |
| Consensus Log Po/w : -1.920 |