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29701-13-1

29701-13-1 structural image
Product Name: Digoxin, teraacetate
Formula: C49H72O18
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COMPUTED DESCRIPTORS

Molecular Weight 949.1 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 15
Exact Mass 948.47186544 g/mol
Monoisotopic Mass 948.47186544 g/mol
Topological Polar Surface Area 227 Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1910
Isotope Atom Count 0
Defined Atom Stereocenter Count 20
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes