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55576-66-4

55576-66-4 structural image
Product Name: agrimol B
Formula: C37H46O12
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COMPUTED DESCRIPTORS

Molecular Weight 682.8 g/mol
XLogP3 7.7
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 15
Exact Mass 682.29892690 g/mol
Monoisotopic Mass 682.29892690 g/mol
Topological Polar Surface Area 211 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1030
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes