Quercetagitrin
2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Quercetagitrin|Quercetagetin-7-O-glucoside|4-Bromobutyronitrile|QUECCETAGITRIN|Quercetagetin 7-glucoside|Quercetagitrin (Standard)|Quercetagetin 7-O-glucoside|Quercetagetin-7-O glucoside|HY-N4150R|QUERCETAGETIN 7-D-GLUCOSIDE|HY-N4150|Quercetagetin-7-O-beta-D-glucoside|quercetagetin-7-beta-D-glucopyranoside|Quercetagetin-7-O-beta-glucopyranoside|QUERCETAGETIN 7-GLUCOSIDE [MI]|QUERCETAGETIN 7-O-.BETA.-D-GLUCOSIDE|2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5,6-trihydroxy-|B2703-211670
| Molecular Formula | C21H20O13 |
|---|---|
| Molecular Weight | 480.0904 g/mol |
| LogP | -0.8333 |
| Topological Polar Surface Area | 230.74 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.0904 |
| Monoisotopic Mass | 480.0904 |
| Heavy Atoms | 34 |
| Complexity | 1298.2928 |
Chemical Identifiers
| CAS Number | 548-75-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O |
Product Overview
Quercetagitrin (CAS 548-75-4), with molecular formula C21H20O13 and molecular weight 480.0904 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.