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124888-22-8

124888-22-8 structural image
Product Name: SYRINGOMYCIN E FROM PSEUDOMONAS SYRINGAE B-301D
Formula: C53H85ClN14O17
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COMPUTED DESCRIPTORS

Molecular Weight 1225.8 g/mol
XLogP3 -3
Hydrogen Bond Donor Count 18
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 26
Exact Mass 1224.5905650 g/mol
Monoisotopic Mass 1224.5905650 g/mol
Topological Polar Surface Area 523 Ų
Heavy Atom Count 85
Formal Charge 0
Complexity 2270
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 11
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes