 Home > Encyclopedia > Aspalathin

Aspalathin

Aspalathin structure

CAS No:
6027-43-6
Formula:
C21H24O11
Chemical Name:
Aspalathin
Synonyms:
1-Propanone,3-(3,4-dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-;Propiophenone,3-(3,4-dihydroxyphenyl)-3′-β-D-glucopyranosyl-2′,4′,6′-trihydroxy-;3-(3,4-Dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone;Aspalathin
Categories:
Analytical Chemistry > Standard

Description

Aspalathin is a member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity. It has a role as a hypoglycemic agent, an EC 1.17.3.2 (xanthine oxidase) inhibitor, an antioxidant and a plant metabolite. It is a C-glycosyl compound, a catechol, a member of dihydrochalcones, a polyphenol and a polyketide.

Aspalathin Basic Attributes

Molecular Weight：

452.41

Exact Mass：

452.41

Characteristics

PSA：

208.37000

XLogP3：

-0.45500

Density：

1.662±0.06 g/cm3 (20ºC 760 Torr)

Melting Point：

131-165 °C

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

RTECS Number：

UC1656000

Marks：

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

aspalathin

Computed Properties

Molecular Weight:452.4
XLogP3:-0.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:452.13186158
Monoisotopic Mass:452.13186158
Topological Polar Surface Area:208
Heavy Atom Count:32
Complexity:633
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes