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226572-11-8

226572-11-8 structural image
Product Name: Cirenshenoside S
Formula: C54H88O23
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COMPUTED DESCRIPTORS

Molecular Weight 1105.3 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 23
Rotatable Bond Count 14
Exact Mass 1104.57163905 g/mol
Monoisotopic Mass 1104.57163905 g/mol
Topological Polar Surface Area 374 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 2090
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 31
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes