Timosaponin B III

CAT: 0804-HY-N6806-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N6806-01Size:5 mg

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Description

Timosaponin B III is a major bioactive steroidal saponin isolated from Anemarrhena asphodeloides Bge, and exhibits anti-inflammatory, anti-platelet aggregative and anti-depressive effects[1][2][3].

CAS Number

142759-74-8

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology; Neurological Disease

Assay Protocol

https://www.medchemexpress.com/timosaponin-b-iii.html

Purity

99.32

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

C[C@@]12[C@](C[C@@]3([H])[C@]2([H])C(C)=C(CC[C@H](C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)O3)([H])[C@@]5([H])[C@]([C@@]6([C@](C[C@@H](O[C@@]7([H])[C@@H]([C@H]([C@@H](O)[C@@H](CO)O7)O)O[C@]8([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CC6)([H])CC5)C)([H])CC1

Molecular Formula

C45H74O18

Molecular Weight

903.06

References & Citations

[1]Zhang XL, et al. Timosaponin B-III exhibits antidepressive activity in a mouse model of postpartum depression by the regulation of inflammatory cytokines, BNDF signaling and synaptic plasticity. Exp Ther Med. 2017 Oct;14 (4) :3856-3861.|[2]Zhao YF, et al. New transformation pathway and cytotoxic derivatives from the acid hydrolysis of timosaponin B III. Nat Prod Res. 2018 Nov 20:1-7.|[3]Kang LP, et al. Steroidal glycosides from the rhizomes of Anemarrhena asphodeloides and their antiplateletaggregation activity. Planta Med. 2012 Apr;78 (6) :611-6.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Pseudoprototimosaponin Aiii

Anemarsaponin B has been reported in Anemarrhena asphodeloides with data available.

CAS Number	142759-74-8
PubChem CID	44575944
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,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-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C45H74O18
Molecular Weight	903.1
XLogP	0.9
Topological Polar Surface Area	287
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	13
Heavy Atom Count	63
Formal Charge	0
Complexity	1590

SMILES

CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

InChI

InChI=1S/C45H74O18/c1-19(18-57-41-38(55)35(52)32(49)28(15-46)60-41)5-8-26-20(2)31-27(59-26)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)58-43-40(37(54)34(51)30(17-48)62-43)63-42-39(56)36(53)33(50)29(16-47)61-42/h19,21-25,27-43,46-56H,5-18H2,1-4H3/t19-,21+,22-,23+,24-,25-,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1

InChIKey

ROHLIYKWVMBBFX-XNZAAYBPSA-N

Chemical Structure

2D Structure

CAS: 142759-74-8

CID: 44575944

Formula: C45H74O18

MW: 903.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	903.1
XLogP3	0.9
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	13
Exact Mass	902.48751551
Monoisotopic Mass	902.48751551
Topological Polar Surface Area	287 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1590
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

Related Products

Catalog	Name
HY-N12649	Timosaponin E2
HY-N7006-01	Timosaponin C
HY-N0812-01	Timosaponin BII
HY-N6079-01	Timosaponin A1
HY-N0810-01	Timosaponin AIII
HY-N13137	Timosaponin N
HY-N13136-01	Timosaponin D
HY-N0812R	Timosaponin BII (Standard)
HY-N0810R-01	Timosaponin AIII (Standard)
HY-N5184	Nocathiacin III

Alternative Products

Catalog	Name
OT10477-01	Timosaponin A-III
467649-01	Timosaponin A3
T2S2295-01	Timosaponin A1
RG-T010620-01	Timosaponin A Iii
SM7028-25mg	Timosaponin BII
GTR19172536-01	Timosaponin AIII
TN7798-01	Timosaponin E2
GTR19237376-01	Timosaponin D
TN2274	Timosaponin C

Timosaponin B III

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