Quercetin 3-galactoside
precursor
Showing entry for Quercetin 3-galactoside
Identification
- PhytoHub ID
- PHUB001454
- Name
- Quercetin 3-galactoside
- Systematic Name
- Not Available
- Synonyms
- Hyperoside
- CAS Number
- Not Available
- Average Mass
- 464.379
- Monoisotopic Mass
- 464.095476084
- Chemical Formula
- C21H20O12
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- OVSQVDMCBVZWGM-DTGCRPNFSA-N
- InChI Identifier
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.95e+00 g/l
- LogS (ALOGPS)
- -2.38
- LogP (ALOGPS)
- 0.47
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 4
- Polar Surface Area
- 206.59999999999997
- Refractivity
- 109.27549999999997
- Polarizability
- 43.38686097735078
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.98109237118166
- pKa (strongest acidic)
- 6.372405531686565
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
American cranberry | Fruit, Berries | Publications | Show | |
Apple | Fruit, Pomes | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cranberry flavonols | Quercetin 3-galactoside | human | urine | unknown | 1h-3h | Not Available | Not Available | C21H20O12 | 464.095476084 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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