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asperulosidic acid

CAS No.:
25368-11-0
Catalog Number:
AG00C4U8
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C4U8
Chemical Name:
asperulosidic acid
CAS Number:
25368-11-0
MDL Number:
MFCD21333373
IUPAC Name:
(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
InChI:
InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChI Key:
DGDWCRWJRNMRKX-DILZHRMZSA-N
Properties
Complexity:
733  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
432.127g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
432.378g/mol
Monoisotopic Mass:
432.127g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  
Literature
Title Journal
Determination and comparative analysis of major iridoids in different parts and cultivation sources of Morinda citrifolia. Phytochemical analysis : PCA 20110101
Three new and antitumor anthraquinone glycosides from Lasianthus acuminatissimus MERR. Chemical & pharmaceutical bulletin 20060301
Iridoid glycosides isolated from Oldenlandia diffusa inhibit LDL-oxidation. Archives of pharmacal research 20051001
Phytochemical constituents from Diodia teres. Archives of pharmacal research 20040101
Two novel glycosides from the fruits of Morinda citrifolia (noni) inhibit AP-1 transactivation and cell transformation in the mouse epidermal JB6 cell line. Cancer research 20010801
Properties