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Timosaponin C

CAT: 0804-HY-N7006-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7006-01Size:5 mg
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Description
Timosaponin C is isolated from Rhizoma Anemarrhenae[1]. Timosaponin C shows weaker NO inhibition in N9 microglial cells[2].
CAS Number
185432-00-2
Product Name Alternative
Anemarsaponin C
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/timosaponin-c.html
Purity
98.80
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]Yanqing Zhang, et al. Identification and Simultaneous Determination of Mangiferin, Neomangiferin, Timosaponin A-III, and Timosaponin C in Rhizoma Anemarrhenae by Rapid Resolution Liquid Chromatography Coupled with Triple Quadrupole Mass Spectrometry. Journal of Liquid Chromatography & Related Technologies Volume 29, 2006-Issue 6.|[2]Wang Z, et al, Anti-Inflammatory Activities of Compounds Isolated from the Rhizome of Anemarrhenaasphodeloides. Molecules. 2018 Oct 13;23 (10) . pii: E2631.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Timosaponin C

Timosaponin C has been reported in Anemarrhena asphodeloides with data available.

CAS Number185432-00-2
PubChem CID101389834
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,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 FormulaC45H74O18
Molecular Weight903.1
XLogP0.9
Topological Polar Surface Area287
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Heavy Atom Count63
Formal Charge0
Complexity1590
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-AMMIEGAUSA-N
Chemical Structure
2D Structure
2D structure of Timosaponin C
CAS: 185432-00-2
CID: 101389834
Formula: C45H74O18
MW: 903.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight903.1
XLogP30.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Exact Mass902.48751551
Monoisotopic Mass902.48751551
Topological Polar Surface Area287 Ų
Heavy Atom Count63
Formal Charge0
Complexity1590
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