3-(Hexopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide
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3-(Hexopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide
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CAS No:
62190-59-4
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Formula:
C30H46O9
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Chemical Name:
3-(Hexopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide
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Synonyms:
3 alpha-methyl-digitoxigenin glucoside;3 alpha-methyldigitoxigenin glucoside;3-MDTG;62190-59-4;3-Mdtg;DTXSID30977771;3alpha-Methyldigitoxigenin glucoside;3alpha-Methyl-digitoxigenin glucoside;3-[(3R,5R,8R,9S,10S,13R,17R)-14-hydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;3-(Hexopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide;Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-3-methyl-, (3beta,5beta)-
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CAS No:
3-(Hexopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide Basic Attributes
550.7 g/mol
550.31418304 g/mol
Computed Properties
Molecular Weight:550.7
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:550.31418304
Monoisotopic Mass:550.31418304
Topological Polar Surface Area:146
Heavy Atom Count:39
Complexity:1020
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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