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Bacoside A3

CAT: 0013-GTR19165369-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165369-03Size:5 mg
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Description
Bacoside A3 is a bioactive constituent of Bacopa monnieri's bacoside A complex, recognized for its antioxidant properties. It demonstrates significant neuroprotective effects in vitro, evidenced by enhanced neuronal cell viability and reduced intracellular reactive oxygen species (ROS) . This compound is utilized in neuroscience research exploring oxidative stress and neuroprotection.
CAS Number
157408-08-7
Product Name Alternative
Bacoside A 3, Bacoside A3, Bacoside A-3, ATPase, Inhibitor, inhibit, ROS, P-gp, Pgp
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.67% (May vary between batches)
Solubility
DMSO:60.00 mg/mL (64.58 mM)
Smiles
[H][C@@]1 (O[C@@H]2[C@@H] (O[C@]3 ([H]) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) [C@H] (O) [C@@H] (CO) O[C@@]2 ([H]) O[C@H]2CC[C@@]3 (C) [C@@] ([H]) (CC[C@]4 (C) [C@]3 ([H]) CC[C@]3 ([H]) [C@]5 ([H]) [C@]6 (C[C@@]43CO6) O[C@H] (C[C@]5 (C) O) C=C (C) C) C2 (C) C) O[C@@H] (CO) [C@H] (O) [C@H]1O
Molecular Formula
C47H76O18
Molecular Weight
929.10
Storage Conditions
Keep away from direct sunlight, keep away from moisture, store under nitrogen | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Bacoside A3

Bacoside a3 is a triterpenoid.

CAS Number157408-08-7
PubChem CID91827005
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC47H76O18
Molecular Weight929.1
XLogP2.1
Topological Polar Surface Area276
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Heavy Atom Count65
Formal Charge0
Complexity1770
SMILES
CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)(C)O)C
InChI
InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1
InChIKey
CDEVGTJBRPBOPH-INTDMYAHSA-N
Chemical Structure
2D Structure
2D structure of Bacoside A3
CAS: 157408-08-7
CID: 91827005
Formula: C47H76O18
MW: 929.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight929.1
XLogP32.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass928.50316557
Monoisotopic Mass928.50316557
Topological Polar Surface Area276 Ų
Heavy Atom Count65
Formal Charge0
Complexity1770
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
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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