Timosaponin AIII


Chemical Name: Timosaponin AIII
CAS Number: 41059-79-4
Product Number: AG00I81F(AGN-PC-00E4FX)
Synonyms:
MDL No: MFCD01631164
Molecular Formula: C39H64O13
Molecular Weight: 740.9177

Identification/Properties


Computed Properties
Molecular Weight:
740.928g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
6
Exact Mass:
740.435g/mol
Monoisotopic Mass:
740.435g/mol
Topological Polar Surface Area:
197A^2
Heavy Atom Count:
52
Formal Charge:
0
Complexity:
1270
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
21
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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