COMPUTED DESCRIPTORS
| Molecular Weight | 989.1 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 12 |
| Exact Mass | 988.48790943 g/mol |
| Monoisotopic Mass | 988.48790943 g/mol |
| Topological Polar Surface Area | 342 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1920 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 25 |
| Undefined Atom Stereocenter Count | 0 |
| 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-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate is a natural product found in Phytolacca icosandra, Phytolacca octandra, and other organisms with data available.