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930573-88-9

930573-88-9 structural image
Product Name: Isosalvianolic acid B
Formula: C36H30O16
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COMPUTED DESCRIPTORS

Molecular Weight 718.6 g/mol
XLogP3 4
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 14
Exact Mass 718.15338487 g/mol
Monoisotopic Mass 718.15338487 g/mol
Topological Polar Surface Area 278 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1290
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes