(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5118c9016ecc4f469663208fa34a7f67.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid
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CAS No:
464189-55-7
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Formula:
C22H27NO9
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid
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Synonyms:
CGC7CQT3LU;UNII-CGC7CQT3LU;Galantamine metabolite M3;o-Desmethyl-epigalantamine glucuronide;(4aS,6S,8aS)-4a,5,9,10,11,12-Hexahydro-6-hydroxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-3-yl beta-D-glucopyranosiduronic acid;464189-55-7;beta-D-Glucopyranosiduronic acid, (4aS,6S,8aS)-4a,5,9,10,11,12-hexahydro-6-hydroxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-3-yl
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,12S,14S)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl]oxy]oxane-2-carboxylic acid Basic Attributes
449.4 g/mol
449.16858144 g/mol
CGC7CQT3LU
Computed Properties
Molecular Weight:449.4
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:449.16858144
Monoisotopic Mass:449.16858144
Topological Polar Surface Area:149
Heavy Atom Count:32
Complexity:764
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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