Name: Name:Ajugol
Brand: Angene
SKU: AG00DB82
Rating: 90 (10 reviews)

Catalog Number:

AG00DB82

Chemical Name:

Ajugol

CAS Number:

52949-83-4

Molecular Formula:

C15H24O9

Molecular Weight:

348.3457

MDL Number:

MFCD28902296

IUPAC Name:

(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChI:

InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1

InChI Key:

VELYAQRXBJLJAK-XKKWFBPMSA-N

SMILES:

OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@](C)(O)C[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O

Complexity:

486

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.348g/mol

Monoisotopic Mass:

348.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Title	Journal
[Determination of harpagide and harpagoside in Scrophulariae Radix by HPLC-UV].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20111001
Effects of β-glucosidase hydrolyzed products of harpagide and harpagoside on cyclooxygenase-2 (COX-2) in vitro.	Bioorganic & medicinal chemistry 20110815
[Simultaneous determination of five constituents in Scrophularia ningpoensis by HPLC].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110301
The interaction potential of herbal medicinal products: a luminescence-based screening platform assessing effects on cytochrome P450 and its use with devil's claw (Harpagophyti radix) preparations.	The Journal of pharmacy and pharmacology 20110301
Anti-inflammatory effect of Ajuga bracteosa Wall Ex Benth. mediated through cyclooxygenase (COX) inhibition.	Journal of ethnopharmacology 20110127
Distribution of iridiod glucosides and anti-oxidant compounds in Spathodea campanulata parts.	African journal of traditional, complementary, and alternative medicines : AJTCAM 20110101
Estimation of the relative antiinflammatory efficacies of six commercial preparations of Harpagophytum procumbens (Devil's Claw).	Phytotherapy research : PTR 20100301
Study of chemical composition and antimicrobial activity of leaves and roots of Scrophularia ningpoensis.	Natural product research 20090101
Cytotoxic activities of Stachys species.	Fitoterapia 20081201
Effect of the major glycosides of Harpagophytum procumbens (Devil's Claw) on epidermal cyclooxygenase-2 (COX-2) in vitro.	Journal of natural products 20080501
Evaluation of antiprotozoal and antimycobacterial activities of the resin glycosides and the other metabolites of Scrophularia cryptophila.	Phytomedicine : international journal of phytotherapy and phytopharmacology 20080301
Optimization of solid-phase extraction for the liquid chromatography-mass spectrometry analysis of harpagoside, 8-para-coumaroyl harpagide, and harpagide in equine plasma and urine.	Journal of chromatographic science 20080201
Antinociceptive and anti-inflammatory effects of saponin and iridoid glycosides from Verbascum pterocalycinum var. mutense Hub.-Mor.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101
Liquid chromatography/electrospray ionization mass spectrometric characterization of Harpagophytum in equine urine and plasma.	Rapid communications in mass spectrometry : RCM 20060101
Iridoids as allelochemicals and DNA polymerase inhibitors.	Journal of natural products 20040301