| Phytochemical Name : Margaspidin |
| PCNDIDM0024 |
| Pubchem CID : 15854 |
| Molecular formula: C24H30O8 |
| Canonical SMILES : CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O)C)O |
Synonymes : Margaspidin|Margaspindin|Margaspidin BB|1867-82-9|BRN 2067959|Butyrophenone, 2',2''',4',6',6'''-pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methyl-|2',2''',4',6',6'''-Pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methylbutyrophenone)|1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-methylphenyl]butan-1-one|1-[3-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxy-5-methylphenyl|DTXSID70171933|1-[3-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one|LS-48471|1-[3-(3-Butyryl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-methylphenyl]-1-butanone # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.150 |
| Log Po/w (XLOGP3) : 4.890 |
| Log Po/w (WLOGP) : 4.400 |
| Log Po/w (MLOGP) : 1.220 |
| Log Po/w (SILICOS-IT) : 5.090 |
| Consensus Log Po/w : 3.750 |