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Quercetin 3-β-Galactoside

CAT: 1299-RM-Q050903-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-Q050903-01Size:10 mg
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CAS Number
482-36-0
Synonyms
Hyperoside; 3-O-β-D-galactopy ranosylquercetin; 2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-3- (((2S,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) -4H-chromen-4-one
Molecular Formula
C21H20O12
Molecular Weight
464.38
Target Alternative Name
Quercetin
Product Name Synonym
Hyperoside; 3-O-β-D-galactopy ranosylquercetin; 2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-3- (((2S,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) -4H-chromen-4-one

Chemical Information

Hyperoside

Quercetin 3-O-beta-D-galactopyranoside is a quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. It has a role as a hepatoprotective agent and a plant metabolite. It is a beta-D-galactoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glycoside.

CAS Number482-36-0
PubChem CID5281643
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O12
Molecular Weight464.4
XLogP0.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity758
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
InChI
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
InChIKey
OVSQVDMCBVZWGM-DTGCRPNFSA-N
Chemical Structure
2D Structure
2D structure of Hyperoside
CAS: 482-36-0
CID: 5281643
Formula: C21H20O12
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP30.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass464.09547607
Monoisotopic Mass464.09547607
Topological Polar Surface Area207 Ų
Heavy Atom Count33
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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