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Bacoside A

CAT: 0931-T3426-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3426-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
11028-00-5
Target
MMP, NOS, Dopamine Receptor, ROS, TNF
Related Pathways
GPCR/G Protein, Apoptosis, Proteases/Proteasome, Immunology/Inflammation, Neuroscience
Purity
0.98
Bioactivity
Bacoside A has a possible anticancer activity that could be inducing cell cycle arrest and apoptosis through Notch pathway in GBM in vitro. It exerts cytoprotective efficacy by attenuation of ROS generated through oxidative stress by an increase in the concentration of antioxidant enzymes and sustain membrane integrity which leads to restoring the damage caused by tBHP. Bacoside A can able to inhibit the progression of Experimental Autoimmune Encephalomyelitis (EAE) may be by the inhibition of inflammatory cytokines and chemokine evolved during active EAE. Bacoside A also has vasorelaxation.
Molecular Formula
C41H68O13
Molecular Weight
768.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19221969-01Bacoside A1
MBS5800866Bacoside A2
HY-N5064RBacoside A3 (Standard)

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