Asperuloside
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Asperuloside
structure -
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CAS No:
14259-45-1
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Formula:
C18H22O11
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Chemical Name:
Asperuloside
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Synonyms:
1H-2,6-Dioxacyclopent[cd]inden-1-one,4-[(acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-,(2aS,4aS,5S,7bS)-;Asperuloside;1H-2,6-Dioxacyclopent[cd]inden-1-one,4-[(acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-,[2aS-(2aα,4aα,5α,7bα)]-;Cyclopenta[c]pyran-4-carboxylic acid,1α-(β-D-glucosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxy-7-(hydroxymethyl)-,γ-lactone,7-acetate;(2aS,4aS,5S,7bS)-4-[(Acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopent[cd]inden-1-one;99772-07-3;1395-14-8;2608-40-4;25311-38-0
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CAS No:
Description
ChEBI: A iridoid monoterpenoid glycoside isolated from Galium verum.
Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. It has a role as a metabolite. It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone.
Characteristics
161
-3.28
1.62±0.1 g/cm3(Predicted)
131.5 °C
704.2±60.0 °C(Predicted)
254.1±26.4 °C
1.635
-20°C
D25 -198.6° (c = 1.44 in water)
Safety Information
NONH for all modes of transport
3
22
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Asperuloside Use and Manufacturing
Trifocin, needle-like crystals (acetone), soluble in water, methanol, ethanol, acetone, ethyl acetate, dioxane, pyridine, acetic acid, almost insoluble in ether, benzene, chloroform, etc. Asperuloside is an iridoid compound with a wide range of pharmacological effects such as antibacterial, antioxidant, antimutagenic, antitumor, anti-inflammatory and analgesic.
Computed Properties
Molecular Weight:414.4
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:414.11621151
Monoisotopic Mass:414.11621151
Topological Polar Surface Area:161
Heavy Atom Count:29
Complexity:746
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Asperuloside
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