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Bacoside A

CAT: 0013-GTR19222860-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222860-03Size:10 mg
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Description
Bacoside A is a research compound studied for its potential anticancer effects in glioblastoma models, where it may induce cell cycle arrest and apoptosis via the Notch pathway. It also demonstrates antioxidant and anti-inflammatory properties, attenuating oxidative stress and inhibiting inflammatory cytokines in models like Experimental Autoimmune Encephalomyelitis (EAE), alongside exhibiting vasorelaxant activity.
CAS Number
11028-00-5
Product Name Alternative
MMP, IL recepter, FOXP3, eNOS, DopamineReceptor, Dopamine Receptor, Bacoside A, BDNF1, ROS, TNF-α
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
98.00% (May vary between batches)
Solubility
Methanol:Soluble
Smiles
CC (=CCC[C@@] (C) ([C@@H]1[C@H]2CC[C@H]3[C@] ([C@@]2 (CC1=O) C) (CC[C@@H]4[C@@]3 (CCC (C4 (C) C) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) CO) O[C@H]6[C@@H] ([C@H] ([C@H] (CO6) O) O) O) O) O) CO) C) O) C
Molecular Formula
C41H68O13
Molecular Weight
768.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bacoside A

Bacoside a is a triterpenoid saponin.

CAS Number11028-00-5
PubChem CID92043183
IUPAC Name(5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Molecular FormulaC41H68O13
Molecular Weight769.0
XLogP2.8
Topological Polar Surface Area216
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count54
Formal Charge0
Complexity1390
SMILES
CC(=CCC[C@@](C)([C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC1=O)C)(CC[C@@H]4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)CO)C)O)C
InChI
InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1
InChIKey
LKCTWIIDXXXXAR-CYGHALRTSA-N
Chemical Structure
2D Structure
2D structure of Bacoside A
CAS: 11028-00-5
CID: 92043183
Formula: C41H68O13
MW: 769.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight769.0
XLogP32.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass768.46599222
Monoisotopic Mass768.46599222
Topological Polar Surface Area216 Ų
Heavy Atom Count54
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M34688-01Bacoside A
HY-N1989A-01Bacoside A (mixture)
MBS5760168Bacoside A3
TBZ2509Bacoside A1
MBS5800866Bacoside A2
HY-N5064RBacoside A3 (Standard)

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