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107668-79-1

107668-79-1 structural image
Product Name: Bulleyaconitine A
Formula: C35H49NO9
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COMPUTED DESCRIPTORS

Molecular Weight 627.8 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 11
Exact Mass 627.34073214 g/mol
Monoisotopic Mass 627.34073214 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1180
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes