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Peonidin-3-Glucoside

CAT: 1410-M39752Size: 1 EachDry Ice: NoHazardous: No
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Description
Peonidin-3-Glucoside
CAS Number
68795-37-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Peonidin-3-glucoside

Peonidin 3-O-beta-D-glucoside is an anthocyanin cation that is the 3-O-beta-D-glucoside of peonidin (methylcyanidin). It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, an anthocyanin cation and a monosaccharide derivative. It is functionally related to a peonidin. It is a conjugate acid of a peonidin 3-O-beta-D-glucoside betaine.

CAS Number68795-37-9
PubChem CID443654
IUPAC Name(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC22H23O11+
Molecular Weight463.4
Topological Polar Surface Area170
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge1
Complexity637
SMILES
COC1=C(C=CC(=C1)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)O
InChI
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
InChIKey
ZZWPMFROUHHAKY-OUUKCGNVSA-O
Chemical Structure
2D Structure
2D structure of Peonidin-3-glucoside
CAS: 68795-37-9
CID: 443654
Formula: C22H23O11+
MW: 463.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass463.12403655
Monoisotopic Mass463.12403655
Topological Polar Surface Area170 Ų
Heavy Atom Count33
Formal Charge1
Complexity637
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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294502-01Peonidin 3-glucoside chloride
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