Cyanidin 3-O-galactoside
Basic information
- CAS
142506-26-1- Standard SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
RKWHWFONKJEUEF-WVXKDWSHSA-O- Molecular formula
- C21H21O11+
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.10838648
Overview
Cyanidin 3-O-beta-D-galactoside is an anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3. It has a role as a plant metabolite and a food component. It is a beta-D-galactoside, an anthocyanin cation and a monosaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-beta-D-galactoside betaine.
Names & identifiers
- Preferred name
- Cyanidin 3-O-galactoside
- IUPAC
- (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 3',4',5,7-Tetrahydroxy-3-(β-D-galactopyranosyloxy)anthocyanidin
- Molecular formula
- C21H21O11
- Molecular weight
- 449.39
Names & synonyms
Cyanidin 3-O-galactosideCyanidin 3-O-beta-D-galactoside(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCHEBI:27475(2S,3R,4S,5R,6R)-2-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:1082368142506-26-1IdaeinCyanidin 3-galactoside cationCyanidin 3-o-galactoside cationCyanidin 3-O-beta-galactopyranosideYM35G4AYEY
Show more names
Cyanidin 3-O-β-D-galactosideCyanidin 3-O-β-galactopyranosideCyanidin 3-O-β-D-galactopyranoside3,4,5,7-Tetrahydroxy-3-(β-D-galactopyranosyloxy)anthocyanidin3',4',5,7-Tetrahydroxy-3-(β-D-galactopyranosyloxy)anthocyanidin2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(D-galactopyranosyloxy)-1-benzopyrylium3-(β-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 623
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Physicochemical properties
- pka
- 14.854 · 14.854±0.70(predicted)
- FDA UNII
- 35 G4AYEY · YM35G4AYEY
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Cyanidin 3-O-beta-D-galactoside is an anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3. It has a role as a plant metabolite and a food component. It is a beta-D-galactoside, an anthocyanin cation and a monosaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-beta-D-galactoside betaine.
Related reactions
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Compound notes
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