cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
Basic information
- CAS
142561-98-6- Standard SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RAHCBDLMLRVOBZ-KMLVFDMGSA-O- Molecular formula
- C32H39O20+
- Average molar mass
- 743.6 g/mol
- Monoisotopic mass
- 743.20346863
Overview
Cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is a xylosylgalactoside and a trisaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine.
Names & identifiers
- Preferred name
- cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Cyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
- Molecular formula
- C32H39O20+
- Molecular weight
- 743.64
Names & synonyms
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)142561-98-660029-67-6(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolCyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosideAC1L9BFVC08612Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]CHEBI:27898DTXSID20331606
Show more names
Cyanidin 3-O-glucopyranosyl-[3-xylopyranosyl-]-galactopyranoside chlorideCyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
LMPK12010099Q271033951-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3,4-Dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside3-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium3-[(2-O-beta-D-Xylopyranosyl-6-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol
Properties
Computed structural properties
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 1
- Complexity
- 1,140
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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