95258-18-7
Product Name:
Picras-3-en-21-oic acid, 13,20-epoxy-3-(β-D-glucopyranosyloxy)-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
Formula:
C32H44O17
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COMPUTED DESCRIPTORS
| Molecular Weight | 700.7 g/mol |
|---|---|
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 9 |
| Exact Mass | 700.25784993 g/mol |
| Monoisotopic Mass | 700.25784993 g/mol |
| Topological Polar Surface Area | 265 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1430 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |