CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White solid; [HSDB] Faintly beige powder; [MSDSonline] |
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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 |
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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.