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Ciwujianoside D2

CAT: 0804-HY-N12294-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12294-01Size:1 mg
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Description
Ciwujianoside D2, a saponin compound, can enhance pancreatic lipase activity in vitro[1].
CAS Number
114892-57-8
UNSPSC
12352005
Target
Lipase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ciwujianoside-d2.html
Solubility
10 mM in DMSO
Smiles
CC(OC[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]3O)O)O)O[C@H]3OC([C@]45[C@](CC(CC5)=C)([H])C6=CC[C@@]([C@@]7([C@@](C(C)([C@H](CC7)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)([H])CC9)C)([H])[C@]9(C)[C@@]6(CC4)C)=O)=O
Molecular Formula
C54H84O22
Molecular Weight
1085.23
References & Citations
[1]Jiang W, et, al. Biologically active triterpenoid saponins from Acanthopanax senticosus. J Nat Prod. 2006 Nov;69 (11) :1577-81.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

ciwujianoside D2

XPCKJVBBSBPFQL-NMXMOXERSA-N has been reported in Eleutherococcus senticosus with data available.

CAS Number114892-57-8
PubChem CID21626485
IUPAC Name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-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)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC54H84O22
Molecular Weight1085.2
XLogP-0.3
Topological Polar Surface Area340
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count22
Rotatable Bond Count13
Heavy Atom Count76
Formal Charge0
Complexity2160
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@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)O)O)O)COC(=O)C)O)O)O
InChI
InChI=1S/C54H84O22/c1-23-11-16-54(18-17-52(7)26(27(54)19-23)9-10-32-51(6)14-13-33(50(4,5)31(51)12-15-53(32,52)8)74-46-40(63)35(58)28(56)20-69-46)49(67)76-48-42(65)38(61)36(59)29(72-48)21-70-45-43(66)39(62)44(30(73-45)22-68-25(3)55)75-47-41(64)37(60)34(57)24(2)71-47/h9,24,27-48,56-66H,1,10-22H2,2-8H3/t24-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
InChIKey
XPCKJVBBSBPFQL-NMXMOXERSA-N
Chemical Structure
2D Structure
2D structure of ciwujianoside D2
CAS: 114892-57-8
CID: 21626485
Formula: C54H84O22
MW: 1085.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1085.2
XLogP3-0.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count22
Rotatable Bond Count13
Exact Mass1084.54542430
Monoisotopic Mass1084.54542430
Topological Polar Surface Area340 Ų
Heavy Atom Count76
Formal Charge0
Complexity2160
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N12295-01Ciwujianoside D1
HY-N12296-01Ciwujianoside C4
HY-N4133-01Ciwujianoside A1
HY-N4134-01Ciwujianoside C3
HY-N0307RCiwujianoside B (Standard)
HY-Y0785SGlyoxal-d2

Alternative Products

CatalogName
N1951-5Ciwujianoside-B
TBW00827Ciwujianoside A1
FC173375-01Ciwujianoside E
PEA90674-01Ciwujianoside C3
MBS5824363Ciwujianoside C1
MBS5824362Ciwujianoside C4
GTR19227671-01Ciwujianoside D2
GTR19227670-01Ciwujianoside C2
TBZ0181Ciwujianoside D1
AB3139Ciwujianoside B

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