932042-85-8
Product Name:
β-(BenzoylaMino)-α-hydroxybenzenepropanoic Acid (αR,βS)-(1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3,11-Bis(acetyloxy)-4-[(benzoyloxy)Methyl]-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,5,6-tetrahydroxy-9,12a,13,13-tetraMethyl-12-oxo-6,10-Methanobenzocyclodecen-8-
Formula:
C47H53NO15
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COMPUTED DESCRIPTORS
Molecular Weight | 871.9 g/mol |
---|---|
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 6 |
Hydrogen Bond Acceptor Count | 15 |
Rotatable Bond Count | 15 |
Exact Mass | 871.34151998 g/mol |
Monoisotopic Mass | 871.34151998 g/mol |
Topological Polar Surface Area | 253 Ų |
Heavy Atom Count | 63 |
Formal Charge | 0 |
Complexity | 1780 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 11 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |