Soyasaponin Ba

CAT: 0931-TN2230-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2230-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

114590-20-4

Target

Cholinesterase (ChE), Reductase

Related Pathways

Neuroscience, Endocrinology/Hormones, Metabolism

Purity

0.9979

Bioactivity

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.

Smiles

[H][C@@]1(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]2([H])O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Molecular Formula

C48H78O19

Molecular Weight

959.12

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Soyasaponin Ba

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

CAS Number	114590-20-4
PubChem CID	91973815
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 Formula	C48H78O19
Molecular Weight	959.1
XLogP	1.9
Topological Polar Surface Area	315
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	10
Heavy Atom Count	67
Formal Charge	0
Complexity	1840

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

CAS: 114590-20-4

CID: 91973815

Formula: C48H78O19

MW: 959.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	959.1
XLogP3	1.9
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	10
Exact Mass	958.51373025
Monoisotopic Mass	958.51373025
Topological Polar Surface Area	315 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1840
Isotope Atom Count	0
Defined Atom Stereocenter Count	25
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TN2231	Soyasaponin II
TN2229	Soyasaponin Ac
TN5040-01	Soyasaponin IV
T13897-01	Soyasaponin III
T81123-01	Soyasaponin Ae
T81122-01	Soyasaponin Af
T124217-01	Soyasaponin A1
TN2232-01	Soyasaponin Ab
TN2228-01	Soyasaponin Aa
T3S0335-01	Soyasaponin Bb

Alternative Products

Catalog	Name
301005	Soyasaponin Bb (Soyasaponin I)
TBZ2930	Soyasaponin Be
HY-N0310-01	Soyasaponin Bb
FS65454	Soyasaponin I
SEA23032-01	Soyasaponin af
TBZ2948	Soyasaponin Bd
TBZ0879	Soyasaponin A6
TBW01654	Soyasaponin III
301003	Soyasaponin Ab
AB1970	Soyasaponin Ae

Soyasaponin Ba

Chemical Information

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