CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] Faintly beige powder; [MSDSonline] |
|---|---|
| Color/Form | NEEDLES FROM METHANOL |
| Melting Point | 263-268 °C |
| Solubility | SOLUBLE IN ETHANOL, METHANOL, DIOXANE, PROPYLENE GLYCOL; PRACTICALLY INSOLUBLE IN WATER, ETHER, PETROLEUM ETHER |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -18 DEG @ 22 °C/D (C= 0.55 IN PYRIDINE) |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 1034.2 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 11 |
| Exact Mass | 1033.54575866 g/mol |
| Monoisotopic Mass | 1033.54575866 g/mol |
| Topological Polar Surface Area | 338 Ų |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Complexity | 1840 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 31 |
| 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
Tomatine is a steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galactose. It has a role as an immunological adjuvant, a phytotoxin and an antifungal agent. It is a steroid alkaloid, a tetrasaccharide derivative, an alkaloid antibiotic, a glycoside and a glycoalkaloid. It is functionally related to a tomatidine.