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Ciwujianoside A1

CAT: 0804-HY-N4133-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N4133-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ciwujianoside A1 is isolated from the Eleutherococcus senticosus leaf[1].
CAS Number
120768-65-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ciwujianoside-a1.html
Concentration
10mM
Purity
99.0
Solubility
10 mM in DMSO
Smiles
OC[C@H]([C@@H](O[C@@]1([H])[C@@H]([C@@H]([C@@H](O)[C@H](C)O1)O)O)[C@H](O)[C@H]2O)O[C@H]2OC[C@H]([C@@H](O)[C@H](O)[C@H]3O)O[C@H]3OC([C@]45[C@](CC(C)(C)CC5)([H])C6=CC[C@@]([C@@]7([C@@](C(C)([C@@H](O[C@@]8([H])[C@@H]([C@H]([C@@H](O)CO8)O)O[C@]9([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CC7)C)([H])CC%10)C)([H])[C@]%10(C)[C@]6(C)CC4)=O
Molecular Formula
C59H96O26
Molecular Weight
1221.38
References & Citations
[1]Yamauchi Y, et al. Memory Enhancement by Oral Administration of Extract of Eleutherococcus senticosus Leaves and Active Compounds Transferred in the Brain.Nutrients. 2019 May 22;11 (5) .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ciwujianoside A1

Ciwujianoside A1 has been reported in Caulophyllum thalictroides, Fatsia japonica, and other organisms with data available.

CAS Number120768-65-2
PubChem CID21607574
IUPAC Name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC59H96O26
Molecular Weight1221.4
XLogP-1.2
Topological Polar Surface Area413
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count26
Rotatable Bond Count14
Heavy Atom Count85
Formal Charge0
Complexity2370
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
InChI
InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(21-61)80-48(45(74)41(46)70)77-23-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(2,3)19-26(59)25-9-10-32-56(6)13-12-33(55(4,5)31(56)11-14-58(32,8)57(25,7)16-18-59)82-52-47(35(64)27(62)22-76-52)84-50-43(72)39(68)36(65)28(20-60)79-50/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
InChIKey
JYQWZASHCQTVLM-AQYGZFFOSA-N
Chemical Structure
2D Structure
2D structure of Ciwujianoside A1
CAS: 120768-65-2
CID: 21607574
Formula: C59H96O26
MW: 1221.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1221.4
XLogP3-1.2
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count26
Rotatable Bond Count14
Exact Mass1220.61898316
Monoisotopic Mass1220.61898316
Topological Polar Surface Area413 Ų
Heavy Atom Count85
Formal Charge0
Complexity2370
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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