| Phytochemical Name : Malonyldaidzin |
| PCNDIDM0018 |
| Pubchem CID : 9913968 |
| Molecular formula: C24H22O12 |
| Canonical SMILES : C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O |
Synonymes : Malonyldaidzin|Daidzin 6''-O-Malonate|124590-31-4|6'-O-Malonyldaidzin|6''-O-MALONYLDAIDZIN|Malonyldaidzin, (-)-|54CE6OWE7A|CHEBI:80371|Malonyl daidzin (constituent of soy isoflavones) [DSC]|3-Oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)propanoic acid|malonyl daidzin|Malonyl-daidzin|UNII-54CE6OWE7A|CHEMBL3426719|DTXSID201319060|HY-N4073|AKOS040760360|MS-29327|CS-0030648|E88875|Q27149376|3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|3-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL 6-O-(CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSIDE|3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid|4H-1-Benzopyran-4-one, 7-[[6-O-(2-carboxyacetyl)-.beta.-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.950 |
| Log Po/w (XLOGP3) : 0.380 |
| Log Po/w (WLOGP) : 0.370 |
| Log Po/w (MLOGP) : -1.270 |
| Log Po/w (SILICOS-IT) : 0.660 |
| Consensus Log Po/w : 0.220 |