COMPUTED DESCRIPTORS
| Molecular Weight | 1131.3 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 16 |
| Exact Mass | 1130.55090361 g/mol |
| Monoisotopic Mass | 1130.55090361 g/mol |
| Topological Polar Surface Area | 388 Ų |
| Heavy Atom Count | 79 |
| Formal Charge | 0 |
| Complexity | 2300 |
| 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 |
PRODUCT INTRODUCTION
description
escin Ia is a natural product found in Aesculus chinensis and Aesculus hippocastanum with data available.