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Jujuboside A

CAT: 0013-GTR19170838-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170838-01Size:5 mg
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Description
Jujuboside A is a neuroactive glycoside isolated from Semen Ziziphi Spinosae. It exhibits inhibitory effects on the central nervous system and is investigated in Alzheimer's disease research, showing potential in both in vitro and in vivo experimental models for its therapeutic properties.
CAS Number
55466-04-1
Product Name Alternative
Jujuboside A, inhibit, Inhibitor, GABA Receptor, GABAReceptor, Gamma-aminobutyric acid Receptor, GLU, γ-Aminobutyric acid Receptor
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:60 mg/mL (49.7 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (1.66 mM)
Smiles
CC1OC (OC2C (OC3CCC4 (C) C (CCC5 (C) C4CCC4C6C7 (CC54CO7) OC (CC6 (C) O) C=C (C) C) C3 (C) C) OCC (O) C2OC2OC (COC3OC (CO) C (O) C (O) C3O) C (O) C (O) C2OC2OCC (O) C (O) C2O) C (O) C (O) C1O
Molecular Formula
C58H94O26
Molecular Weight
1207.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jujuboside A

Jujuboside A is a triterpenoid.

CAS Number55466-04-1
PubChem CID51346169
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(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-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC58H94O26
Molecular Weight1207.3
XLogP-1.6
Topological Polar Surface Area394
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Heavy Atom Count84
Formal Charge0
Complexity2330
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@](C[C@@H](O[C@@]78C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
InChI
InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51-,52-,54-,55+,56-,57-,58-/m0/s1
InChIKey
KVKRFLVYJLIZFD-OQVAHBRNSA-N
Chemical Structure
2D Structure
2D structure of Jujuboside A
CAS: 55466-04-1
CID: 51346169
Formula: C58H94O26
MW: 1207.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1207.3
XLogP3-1.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Exact Mass1206.60333310
Monoisotopic Mass1206.60333310
Topological Polar Surface Area394 Ų
Heavy Atom Count84
Formal Charge0
Complexity2330
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3840396-01Jujuboside A
TBZ0521Jujuboside C
HY-N0660-01Jujuboside B
300518Jujuboside B1
371617Jujuboside A discontinued

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