(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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![(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1b81bfd1101a47a88e1c92e4c8f83b33.png "(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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CAS No:
142506-26-1
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Formula:
C21H21O11+
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Chemical Name:
(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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Synonyms:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride;Cy3-gal;cyanidin 3-galactoside;Cyanidin 3-O-galactoside;UNII-YM35G4AYEY;YM35G4AYEY;142506-26-1;CHEBI:27475;Idaein;Q63399308;27661-36-5;Cyanidin 3-galactoside;Cyanidin 3-galactoside cation;Cyanidin 3-o-galactoside cation;SCHEMBL1097555;CHEMBL1197952;cyanidin 3-O- -D-galactoside;Cyanidin 3-O- galactopyranoside;DTXSID80950312;Cyanidin 3-O-beta-galactopyranoside;ZINC4097731;Cyanidin 3-O-beta-D-galactopyranoside;1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-;(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;C08647;3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl hexopyranoside
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CAS No:
Description
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 derives from a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-beta-D-galactoside betaine.
(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes
449.4 g/mol
449.10838648 g/mol
YM35G4AYEY
Drug Information
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride
Computed Properties
Molecular Weight:449.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:449.10838648
Monoisotopic Mass:449.10838648
Topological Polar Surface Area:181
Heavy Atom Count:32
Formal Charge:1
Complexity:623
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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