COMPUTED DESCRIPTORS
| Molecular Weight | 389.4 g/mol |
|---|---|
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 389.04503815 g/mol |
| Monoisotopic Mass | 389.04503815 g/mol |
| Topological Polar Surface Area | 220 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 548 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
2(S)-Hydroxy-3-butenylglucosinolate is a natural product found in Isatis tinctoria with data available.