Gitoxin, tetraacetate
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Gitoxin, tetraacetate
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CAS No:
29253-86-9
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Formula:
C49H72O18
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Chemical Name:
Gitoxin, tetraacetate
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Synonyms:
Tetraacetylgitoxin;Gitoxin, tetraacetate;29253-86-9;[(2R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetyloxy-5-[(2S,4S,5R,6R)-4,5-diacetyloxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecah
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CAS No:
Computed Properties
Molecular Weight:949.1
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:15
Exact Mass:948.47186544
Monoisotopic Mass:948.47186544
Topological Polar Surface Area:227
Heavy Atom Count:67
Complexity:1910
Defined Atom Stereocenter Count:20
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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