COMPUTED DESCRIPTORS
| Molecular Weight | 486.7 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 486.37091007 g/mol |
| Monoisotopic Mass | 486.37091007 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 934 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
methyl (4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Prunella vulgaris with data available.