| Phytochemical Name : Daigremontianin |
| PCNDIDD0004 |
| Pubchem CID : 21602974 |
| Molecular formula: C26H30O9 |
| Canonical SMILES : CC12C(CCC1(C3CCC45CC6CC(C4(C3C(C2=O)O)C=O)OC(O6)(O5)C)O)C7=COC(=O)C=C7 |
Synonymes : Daigremontianin|98205-50-6|N5SG3A9FLM|(1S,4R,5S,8R,9R,11S,12S,13R,14R,18S)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde|UNII-N5SG3A9FLM|SCHEMBL1533540|DTXSID40897532|Bufa-20,22-dienolide, 1,3,5-(ethylidynetris(oxy))-11,14-dihydroxy-12,19-dioxo-, (1beta(R),3beta,5beta,11alpha)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.020 |
| Log Po/w (XLOGP3) : 4.130 |
| Log Po/w (WLOGP) : 4.030 |
| Log Po/w (MLOGP) : 3.330 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 3.700 |