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Timosaponin BII

CAT: 0804-HY-N0812-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0812-01Size:1 mg
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Description
Timosaponin BII (Prototimosaponin A III) is a steroid saponin found in the rhizomes of Anemarrhena asphodeloides. Timosaponin BII has neuronal protective, anti-inflammatory and antioxidant activities[1][2].
CAS Number
136656-07-0
Product Name Alternative
Prototimosaponin A III
UNSPSC
12352005
Hazard Statement
H302
Target
Amyloid-β
Type
Natural Products
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Timosaponin_BII.html
Purity
99.45
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
C[C@@]1([C@]([C@@H]2C)([H])[C@](O[C@]2(O)CC[C@H](C)CO[C@@H]([C@@H]([C@@H](O)[C@@H]3O)O)O[C@@H]3CO)([H])C4)[C@]4([H])[C@@](CC[C@@]5([H])[C@@]6(CC[C@H](O[C@@](O[C@H](CO)[C@H](O)[C@@H]7O)([H])[C@@H]7O[C@]([C@@H]([C@@H](O)[C@@H]8O)O)([H])O[C@@H]8CO)C5)C)([H])[C@]6([H])CC1
Molecular Formula
C45H76O19
Molecular Weight
921.07
Precautions
H302
References & Citations
[1]Guo J, et al. Cytotoxic activities of chemical constituents from rhizomes of Anemarrhena asphodeloides and their analogues. Arch Pharm Res. 2015;38 (5) :598-603.|[2]Huang JF, et al. Timosaponin-BII inhibits the up-regulation of BACE1 induced by ferric chloride in rat retina. BMC Complement Altern Med. 2012 Oct 22;12:189.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Timosaponin B II

Timosaponin b ii is a steroid saponin.

CAS Number136656-07-0
PubChem CID44575945
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,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-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC45H76O19
Molecular Weight921.1
XLogP0.7
Topological Polar Surface Area307
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count64
Formal Charge0
Complexity1560
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[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)OC1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
InChI
InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45?/m0/s1
InChIKey
SORUXVRKWOHYEO-FRUGGTEYSA-N
Chemical Structure
2D Structure
2D structure of Timosaponin B II
CAS: 136656-07-0
CID: 44575945
Formula: C45H76O19
MW: 921.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight921.1
XLogP30.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass920.49808019
Monoisotopic Mass920.49808019
Topological Polar Surface Area307 Ų
Heavy Atom Count64
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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