Gitaloxin
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Gitaloxin
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CAS No:
3261-53-8
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Formula:
C42H64O15
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Chemical Name:
Gitaloxin
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Synonyms:
Card-20(22)-enolide,3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-,(3β,5β,16β)-;Gitoxin,16-formate;(3β,5β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide;Gitaloxin;16-Formylgitoxin;Gitoxigenin tridigitoxoside 16-formate;Cristaloxine;82476-62-8
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CAS No:
Description
ChEBI: A cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated.
Computed Properties
Molecular Weight:808.9
XLogP3:2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:808.42452133
Monoisotopic Mass:808.42452133
Topological Polar Surface Area:209
Heavy Atom Count:57
Complexity:1510
Undefined Atom Stereocenter Count:21
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes