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Atractyloside A

CAT: 0013-GTR19170825-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170825-06Size:25 mg
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Description
Atractyloside is a kaurene diterpene glycoside found in plants like Atractylis gummifera and coffee. Its primary research application stems from its potent inhibition of the mitochondrial adenine nucleotide translocase (ANT), making it a valuable tool for studying cellular energy metabolism and apoptosis in both in vitro and in vivo models.
CAS Number
126054-77-1
Product Name Alternative
Inhibit, Inhibitor, Atractyloside A, adenine nucleotide translocase
Field of Research
Neuroscience
Purity
98.37% (May vary between batches)
Solubility
DMSO:30 mg/mL (66.89 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.46 mM)
Smiles
[H][C@@]12C[C@@H] (CC[C@] (O) (CO) [C@@]1 ([H]) CC (=O) [C@@]2 (C) O) C (C) (C) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C21H36O10
Molecular Weight
448.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Atractyloside A

Atractyloside A is a terpene glycoside.

CAS Number126054-77-1
PubChem CID71307451
IUPAC Name(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
Molecular FormulaC21H36O10
Molecular Weight448.5
XLogP-2.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity671
SMILES
C[C@@]1([C@@H]2C[C@@H](CC[C@@]([C@H]2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1
InChIKey
QNBLVYVBWDIWDM-BSLJOXIBSA-N
Chemical Structure
2D Structure
2D structure of Atractyloside A
CAS: 126054-77-1
CID: 71307451
Formula: C21H36O10
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP3-2.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass448.23084734
Monoisotopic Mass448.23084734
Topological Polar Surface Area177 Ų
Heavy Atom Count31
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RG-A261336-01Atractyloside A
TBW01160Atractyloside
371204Atractyloside A discontinued
HY-N1462-01Atractyloside (potassium salt)
441901-01Atractyloside Dipotassium Salt
B2441-500Atractyloside Potassium salt
367007-01Atractyloside, Calcium Salt

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