Barlerin
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Barlerin
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CAS No:
57420-46-9
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Formula:
C19H28O12
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Chemical Name:
Barlerin
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Synonyms:
Cyclopenta[c]pyran-4-carboxylic acid,7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester,(1S,4aS,5R,7S,7aS)-;Cyclopenta[c]pyran-4-carboxylic acid,7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester,[1S-(1α,4aα,5α,7α,7aα)]-;Barlerin;Umbroside;8-O-Acetylshanzhiside methyl ester;8-Acetylshanzhiside methyl ester;8-Acetylshanziside methyl ester;82146-06-3
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CAS No:
Description
8-O-Acetyl shanzhiside methyl ester (ND01) is an iridoid glucoside isolated from the leaves of Lamiophlomis rotata Kudo, a Chinese folk medicinal plant in Xi-zang. 8-O-Acetyl shanzhiside methyl ester could inhibt NF-κB.
Computed Properties
Molecular Weight:448.4
XLogP3:-2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:448.15807632
Monoisotopic Mass:448.15807632
Topological Polar Surface Area:181
Heavy Atom Count:31
Complexity:725
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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