Quercetin-3-O-neohesperidose
3-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: q3On|Quercetin-3-O-neohesperidose|Quercetin-3-O-rhamnose-glucose|quercetin 3-neohesperidose|Quercetin-3-O-rhamnosylglucoside|3-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one|4H-1-Benzopyran-4-one, 3-((6-deoxy-O-glucosyl-L-mannosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-|3-((2R,3R,4R,5R,6R)-6-((2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl)oxy-3,4,5-trihydroxyoxan-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one|3-{[(2R,3R,4R,5R,6R)-6-{[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C27H30O16 |
|---|---|
| Molecular Weight | 610.1534 g/mol |
| LogP | -1.6871 |
| Topological Polar Surface Area | 269.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1534 |
| Monoisotopic Mass | 610.1534 |
| Heavy Atoms | 43 |
| Complexity | 1539.635 |
Chemical Identifiers
| CAS Number | 29322-06-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O |
Product Overview
Quercetin-3-O-neohesperidose (CAS 29322-06-3), with molecular formula C27H30O16 and molecular weight 610.1534 g/mol. IUPAC: 3-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.