112825-05-5
Product Name:
METHYLLYCACONITINE CITRATE
Formula:
C43H58N2O17
Synonyms:
[1α,4(S),6β,14α,16β]-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]aconitane-7,8-diol citrate salt;MLA
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COMPUTED DESCRIPTORS
| Molecular Weight | 874.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 15 |
| Exact Mass | 874.37354839 g/mol |
| Monoisotopic Mass | 874.37354839 g/mol |
| Topological Polar Surface Area | 276 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1610 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 14 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |