908011-55-2
Product Name:
2-Butenoic acid, 2-methyl-, (5S,6S,7S,8R,13aS)-5,6,7,8-tetrahydro-6,13-dihydroxy-1,2,3-trimethoxy-6,7-dimethyl-8-(1-oxopropoxy)benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl ester (9CI)
Formula:
C30H36O11
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 572.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 572.22576196 g/mol |
| Monoisotopic Mass | 572.22576196 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 970 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |