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Soyasaponin Ba

CAT: 0013-GTR19156422-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156422-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Soyasaponin Ba may represent viable candidates for effective vaccine adjuvants due to their higher and lower or non-haemolytic effects.Soyasaponins Ab and Bb prevent scopolamine-induced memory impairment in mice without the inhibition of acetylcholinesterase.
CAS Number
114590-20-4
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
C[C@]12CC[C@@H] ([C@] ([C@@H]1CC[C@@]3 ([C@@H]2CC=C4[C@]3 (CC[C@@]5 ([C@H]4CC (C[C@H]5O) (C) C) C) C) C) (C) CO) O[C@H]6[C@@H] ([C@H] ([C@@H] ([C@H] (O6) C (=O) O) O) O) O[C@H]7[C@@H] ([C@H] ([C@H] ([C@H] (O7) CO) O) O) O[C@H]8[C@@H] ([C@H] ([C@@H] ([C@H] (O8) CO) O) O) O
Molecular Formula
C48H78O19
Molecular Weight
959.1
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Soyasaponin Ba

WFRQIKSNAYYUJZ-BKQVBUAGSA-N has been reported in Glycine max, Lotus pedunculatus, and other organisms with data available.

CAS Number114590-20-4
PubChem CID91973815
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Molecular FormulaC48H78O19
Molecular Weight959.1
XLogP1.9
Topological Polar Surface Area315
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Heavy Atom Count67
Formal Charge0
Complexity1840
SMILES
C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
InChI
InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey
WFRQIKSNAYYUJZ-BKQVBUAGSA-N
Chemical Structure
2D Structure
2D structure of Soyasaponin Ba
CAS: 114590-20-4
CID: 91973815
Formula: C48H78O19
MW: 959.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight959.1
XLogP31.9
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Exact Mass958.51373025
Monoisotopic Mass958.51373025
Topological Polar Surface Area315 Ų
Heavy Atom Count67
Formal Charge0
Complexity1840
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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