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malvidin 3-galactoside

Structure via PubChem · Public domain (PubChem)

EntityQ137253· pop 8· linked from 53 articles

malvidin 3-galactoside

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Also known as primulin

chemical compound

Chemical data

Formula
C23H25ClO12
Molecular weight
528.9 g/mol
IUPAC name
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
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.[Cl-]
InChIKey
YDIKCZBMBPOGFT-PWUSVEHZSA-N
Polar surface area
180 Ų
H-bond donors
7
H-bond acceptors
12
Formal charge
0

via PubChem

Wikidata facts

Mass
528.103
Show 3 more facts
canonical SMILES
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O.[Cl-]
chemical formula
C₂₃H₂₅ClO₁₂
isomeric SMILES
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O.[Cl-]
Sources (2)

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