3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide
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![3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b836731eb5884fad9755b83e141a45dc.png "3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide")
3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide
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CAS No:
99520-71-5
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Formula:
C34H50O14
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Chemical Name:
3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide
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Synonyms:
99520-71-5;DTXSID70912646;Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside;3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide;Card-20(22)-enolide, 3-((6-deoxy-4-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-14,16-dihydroxy-19-oxo-, (3beta,5beta,16beta)-
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CAS No:
3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide Basic Attributes
682.8 g/mol
682.32005626 g/mol
Computed Properties
Molecular Weight:682.8
XLogP3:-2.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:682.32005626
Monoisotopic Mass:682.32005626
Topological Polar Surface Area:222
Heavy Atom Count:48
Complexity:1280
Defined Atom Stereocenter Count:15
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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