COMPUTED DESCRIPTORS
| Molecular Weight | 987.1 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 12 |
| Exact Mass | 986.47225936 g/mol |
| Monoisotopic Mass | 986.47225936 g/mol |
| Topological Polar Surface Area | 342 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1990 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 24 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-O-methyl 4a-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2,4a-dicarboxylate is a natural product found in Phytolacca acinosa with data available.