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Quercetin 3,4-diglucoside

CAT: 1410-M32113-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Quercetin 3,4'-diglucoside possesses antioxidant activities.
CAS Number
29125-80-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
626.5
Molecular Formula
C27H30O17
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Quercetin 3,4'-diglucoside

Quercetin 3,4'-di-O-beta-D-glucoside is a quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 3 and 4'. It has a role as a radical scavenger, a plant metabolite and a cardioprotective agent. It is a beta-D-glucoside, a polyphenol, a trihydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside.

CAS Number29125-80-2
PubChem CID5320835
IUPAC Name5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-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)O)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
InChI
InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)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
RPVIQWDFJPYNJM-DEFKTLOSSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3,4'-diglucoside
CAS: 29125-80-2
CID: 5320835
Formula: C27H30O17
MW: 626.5
Interactive 3D Structure
Loading 3D structure...
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