| Phytochemical Name : Lindleyin |
| PCNDIDL0073 |
| Pubchem CID : 42994 |
| Molecular formula: C23H26O11 |
| Canonical SMILES : CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O |
Synonymes : Lindleyin|59282-56-3|BRN 1672532|(4-(4'-Hydroxyphenyl)-2-butanone-4'-O-beta-D-(6''-O-gallyl)glucopyranoside)|4-(4'-Hydroxyphenyl)-2-butanone-4'-O-beta-D-(6''-O-gallyl)glucopyranoside|Benzoic acid, 3,4,5-trihydroxy-, 6'-ester with 4-(4-(beta-D-glucopyranosyloxy)phenyl)-2-butanone|[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate|CHEMBL4205713|DTXSID60974718|CHEBI:169434|HY-N2448|AC-34407|LS-38403|MS-28876|CS-0022674|4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.860 |
| Log Po/w (XLOGP3) : 0.290 |
| Log Po/w (WLOGP) : 0.370 |
| Log Po/w (MLOGP) : -0.750 |
| Log Po/w (SILICOS-IT) : 0.640 |
| Consensus Log Po/w : 0.480 |