COMPUTED DESCRIPTORS
| Molecular Weight | 435.5 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 435.03275939 g/mol |
| Monoisotopic Mass | 435.03275939 g/mol |
| Topological Polar Surface Area | 236 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 632 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-Methylsulfinyl-3-butenyl glucosinolate is a natural product found in Brassica aucheri with data available.