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Homecas115810-13-4

115810-13-4

115810-13-4 structural image
Product Name: tubeimoside III
Formula: C64H100O31
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COMPUTED DESCRIPTORS

Molecular Weight 1365.5 g/mol
XLogP3 -3.6
Hydrogen Bond Donor Count 16
Hydrogen Bond Acceptor Count 31
Rotatable Bond Count 4
Exact Mass 1364.6248564 g/mol
Monoisotopic Mass 1364.6248564 g/mol
Topological Polar Surface Area 486 Ų
Heavy Atom Count 95
Formal Charge 0
Complexity 2800
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 35
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes