biochanin A 7-O-beta-D-glucoside 6''-O-malonate
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Also Known As: Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)|Biochanin A 7-(6-O-malonylglucoside)|Biochanin A 7-O-beta-D-glucoside 6''-O-malonate|Biochanin A 7-O-glucoside 6''-O-malonate|Biochanin A 7-O-beta-D-glucoside-6''-O-malonate|biochanin A-7-O-glucoside-6''-O-malonylester|Biochanin A 7-O-?-D-glucoside 6''-O-malonate|3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid|Biochanin A 7-O-beta-D-glucoside 6 -O-malonate|Biochanin A-7-O-beta-D-glucoside-6 -O-malonate|5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|5-hydroxy-4'-methoxyisoflavone-7-O-beta-D-glycoside-6''-O-malonate|3-(4-Methoxyphenyl)-5-hydroxy-7-[6-O-(1-oxo-2-carboxyethyl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one|3-(4-Methoxyphenyl)-5-hydroxy-7-[6-O-(carboxyacetyl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one|3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl)oxyoxan-2-yl)methoxy)propanoic acid|3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid|5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|5-Hydroxy-3-(4-methoxyphenyl)-7-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one|5-Hydroxy-7-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|7-[6-O-(Carboxyacetyl)-beta-D-glucopyranosyloxy]-3-(4-methoxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C25H24O13 |
|---|---|
| Molecular Weight | 532.1217 g/mol |
| LogP | 0.3785 |
| Topological Polar Surface Area | 202.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1217 |
| Monoisotopic Mass | 532.1217 |
| Heavy Atoms | 38 |
| Complexity | 1380.5082 |
Chemical Identifiers
| CAS Number | 34232-17-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O |
Product Overview
biochanin A 7-O-beta-D-glucoside 6''-O-malonate (CAS 34232-17-2), with molecular formula C25H24O13 and molecular weight 532.1217 g/mol. IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid.