Bryotoxin A
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Bryotoxin A
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CAS No:
101329-50-4
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Formula:
C32H42O12
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Chemical Name:
Bryotoxin A
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Synonyms:
Bufa-20,22-dienolide,3-[(3-O-acetyl-4,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-5,11,14-trihydroxy-12,19-dioxo-,(3β,5β,11α)-;(3β,5β,11α)-3-[(3-O-Acetyl-4,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-5,11,14-trihydroxy-12,19-dioxobufa-20,22-dienolide;Bryotoxin A
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CAS No:
Description
ChEBI: A bufadienolide glycoside that is 3,5,11,14-tetrahydroxy-12,19-dioxobufa-20,22-dienolide attached to a 3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl residue at position 3 via a gly osidic linkage.
Computed Properties
Molecular Weight:618.7
XLogP3:0.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:618.26762677
Monoisotopic Mass:618.26762677
Topological Polar Surface Area:186
Heavy Atom Count:44
Complexity:1290
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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