3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
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3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
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CAS No:
135558-26-8
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Formula:
C33H41O20
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Chemical Name:
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
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Synonyms:
1-Benzopyrylium,3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-;3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium;Cyanidin 3-rutinoside 5-glucoside;1643501-05-6
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CAS No:
Description
Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside is an anthocyanin cation that is cyanidin in which the hydroxyl hydrogens at positions 3 and 5 are replaced by rutinosyl and glucosyl residues respectively. It is a rutinoside, an anthocyanin cation, a disaccharide derivative and a 5-hydroxyanthocyanin O-beta-D-glucoside. It derives from a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine.
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium Basic Attributes
757.66664
757.219
DTXSID50332141
Computed Properties
Molecular Weight:757.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:9
Exact Mass:757.21911869
Monoisotopic Mass:757.21911869
Topological Polar Surface Area:319
Heavy Atom Count:53
Formal Charge:1
Complexity:1170
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
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