5. Computational chemical data
- Molecular Weight:174.1513g/mol
- Molecular Formula:C44H67NO11
- Compound Is Canonicalized:True
- XLogP3-AA:_1.7
- Exact Mass:174.05282342
- Monoisotopic Mass:174.05282342
- Complexity:222
- Rotatable Bond Count:1
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:5
- Topological Polar Surface Area:98
- Heavy Atom Count:12
- Defined Atom Stereocenter Count:3
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:1
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