196309-97-4
Product Name:
Yessotoxin, 3-de[2-(sulfooxy)ethyl]-45-hydroxy-3-[3-(sulfooxy)propyl]-, (45R)-
Formula:
C56H84O22S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 1173.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 12 |
| Exact Mass | 1172.48956665 g/mol |
| Monoisotopic Mass | 1172.48956665 g/mol |
| Topological Polar Surface Area | 306 Ų |
| Heavy Atom Count | 80 |
| Formal Charge | 0 |
| Complexity | 2590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 27 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |