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Malvidin 3-O-glucoside

CAT: 1410-M38857Size: 1 EachDry Ice: NoHazardous: No
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Description
Malvidin 3-O-glucoside
CAS Number
18470-06-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
493.4374
Molecular Formula
C23H25O12+
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Malvidin 3-Glucoside

Malvidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a metabolite. It is a beta-D-glucoside, an anthocyanin cation and an aromatic ether. It is functionally related to a malvidin. It is a conjugate acid of a malvidin 3-O-beta-D-glucoside betaine.

CAS Number18470-06-9
PubChem CID443652
IUPAC Name(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC23H25O12+
Molecular Weight493.4
Topological Polar Surface Area180
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge1
Complexity669
SMILES
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
InChIKey
PXUQTDZNOHRWLI-OXUVVOBNSA-O
Chemical Structure
2D Structure
2D structure of Malvidin 3-Glucoside
CAS: 18470-06-9
CID: 443652
Formula: C23H25O12+
MW: 493.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass493.13460123
Monoisotopic Mass493.13460123
Topological Polar Surface Area180 Ų
Heavy Atom Count35
Formal Charge1
Complexity669
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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Alternative Products

CatalogName
AB2705Malvidin 3-O-glucoside
TBW01125Malvidin 3-O-β-D-glucoside
AB2699Malvidin 3-O-glucoside chloride
MBS5760628Malvidin-3-O-glucoside chloride
294238-01Malvidin 3-glucoside
MM44899-01Malvidin 3-glucoside chloride
GTR19157995-01Malvidin-3-glucoside chloride
HY-125740-01Malvidin-3-glucoside (chloride)
XM163690Malvidin-3- (p-coumaryl) glucoside
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