16-O-ISOVALERYLGITOXIN
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16-O-ISOVALERYLGITOXIN
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CAS No:
26184-94-1
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Formula:
C46H72O15
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Chemical Name:
16-O-ISOVALERYLGITOXIN
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Synonyms:
16-Isovalerylgitoxin;16-O-ISOVALERYLGITOXIN;Gitoxin, 16-isovalerate;26184-94-1;3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-16-(3-methyl-1-oxobutoxy)card-20(22)-enolide (3beta,5beta,16beta)-;Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-16-(3-methyl-1-oxobutoxy)-, (3beta,5beta,16beta)-
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CAS No:
Computed Properties
Molecular Weight:865.1
XLogP3:3.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:11
Exact Mass:864.48712159
Monoisotopic Mass:864.48712159
Topological Polar Surface Area:209
Heavy Atom Count:61
Complexity:1620
Defined Atom Stereocenter Count:20
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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