1405-86-3
Product Name:
Glycyrrhizic acid
Formula:
C42H62O16
Synonyms:
3-O-(2-O-β-D -Glucopyranuronosyl-α-D -glucopyranuronosyl)-18β-glycyrrhetinic acid;GL;Glycyrrhetinic acid glycoside;Glycyrrhizic acid;Glycyrrhizinic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with intensely sweet taste; [Merck Index] Crystalline plates or prisms; [MSDSonline] |
|---|---|
| Color/Form | Crystals from glacial acetic acid |
| Taste | Intensely sweet taste |
| Boiling Point | Decomposes at 200 ºC |
| Melting Point | 220 ºC (Decomposes at 200 ºC) |
| Solubility | Easily soluble in hot water |
| LogP | 2.8 |
| Optical Rotation | Specific optical rotation: +46.2 deg @ 17 °C/D (alcohol, 1.5%) |
| Other Experimental Properties | ON HYDROLYSIS IT YIELDS GLYCYRRHETIC ACID & 2 MOLES OF GLUCURONIC ACID |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 822.9 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 7 |
| Exact Mass | 822.40378589 g/mol |
| Monoisotopic Mass | 822.40378589 g/mol |
| Topological Polar Surface Area | 267 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 19 |
| 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
Glycyrrhizinic acid is a triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. It has a role as an EC 3.4.21.5 (thrombin) inhibitor and a plant metabolite. It is a glucosiduronic acid, a tricarboxylic acid, a pentacyclic triterpenoid, an enone and a triterpenoid saponin. It is a conjugate acid of a glycyrrhizinate(3-).