(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
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![(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/27c8b8fcd4ae4a9cb787c26fde243eed.png "(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride")
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
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CAS No:
64963-53-7
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Formula:
C27H31ClO16
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Chemical Name:
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
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Synonyms:
Seranin;64963-53-7;DTXSID90215282
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CAS No:
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride Basic Attributes
647.0 g/mol
646.1300626 g/mol
DTXSID90215282
Computed Properties
Molecular Weight:647.0
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:646.1300626
Monoisotopic Mass:646.1300626
Topological Polar Surface Area:260
Heavy Atom Count:44
Complexity:899
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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