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155653-85-3

155653-85-3 structural image
Product Name: (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester
Formula: C36H58O9
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COMPUTED DESCRIPTORS

Molecular Weight 634.8 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 634.40808342 g/mol
Monoisotopic Mass 634.40808342 g/mol
Topological Polar Surface Area 157 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1200
Isotope Atom Count 0
Defined Atom Stereocenter Count 16
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes