Thevetin B
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Thevetin B
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CAS No:
27127-79-3
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Formula:
C42H66O18
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Chemical Name:
Thevetin B
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Synonyms:
Card-20(22)-enolide,3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-,(3β,5β)-;Thevetin B;(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
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CAS No:
Description
Thevetin B is a trisaccharide derivative and a gentiobiosylthevetoside. It derives from a digitoxigenin.
Thevetin B Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cardanolides and derivatives [ST0112]
Computed Properties
Molecular Weight:859.0
XLogP3:-1.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:858.42491525
Monoisotopic Mass:858.42491525
Topological Polar Surface Area:273
Heavy Atom Count:60
Complexity:1570
Defined Atom Stereocenter Count:23
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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