1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
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![1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/845e1b7fa96242b3acc6278bee12c9c0.png "1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)")
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
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CAS No:
38820-68-7
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Formula:
C27H31O16.Cl
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Chemical Name:
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
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Synonyms:
1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-,chloride (1:1);1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-,chloride;Cyanidine 3-sophoroside;Cyanidin 3-sophoroside
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CAS No:
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1) Basic Attributes
646.97844
611.16120990
Computed Properties
Molecular Weight:611.5
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:611.16120990
Monoisotopic Mass:611.16120990
Topological Polar Surface Area:260
Heavy Atom Count:43
Formal Charge:1
Complexity:899
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-, chloride (1:1)
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1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-7-hydroxy-, chloride (1:1) Formula
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1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride Formula
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1-Benzopyrylium, 2-[2,4-bis(phenylmethoxy)phenyl]-7-hydroxy-3-methoxy-, chloride (1:1) Formula
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1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
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