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Quercetin 3,7-diglucoside

CAT: 0013-GTR19237019-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237019-01Size:50 mg
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Description
Quercetin 3,7-diglucoside exhibits antioxidant activity.
CAS Number
6892-74-6
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C27H30O17
Molecular Weight
626.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Quercetin 3,7-diglucoside

Quercetin 3,7-di-O-beta-D-glucoside is a quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 3 and 7. It has a role as a plant metabolite. It is a beta-D-glucoside, a polyphenol, a trihydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside.

CAS Number6892-74-6
PubChem CID10121947
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
Molecular FormulaC27H30O17
Molecular Weight626.5
XLogP-1.4
Topological Polar Surface Area286
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1040
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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey
BNSCASRSSGJHQH-DEFKTLOSSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3,7-diglucoside
CAS: 6892-74-6
CID: 10121947
Formula: C27H30O17
MW: 626.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.5
XLogP3-1.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Exact Mass626.14829948
Monoisotopic Mass626.14829948
Topological Polar Surface Area286 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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