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Bacoside A3

CAT: 1410-M29099-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M29099-02Size:1 mL x 10 mM in DMSO
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Description
Bacoside A3 is one of the components of Bacopa monnieri (L.) Wettst. bacoside A with antioxidant potential. Bacoside A3 shows comparatively higher neuroprotective response analysed as higher cell viability and decreased intracellular ROS.
CAS Number
157408-08-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
929.107
Molecular Formula
C47H76O18
Notes
Research use only, not for human use.
Receptor
ATPase

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...
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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