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Ciwujianoside D1

CAT: 0804-HY-N12295-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12295-01Size:1 mg
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Description
Ciwujianoside D1 is a natural product that can inhibit histamine release induced by anti-immunoglobulin E from rat peritoneal mast cells[1].
CAS Number
114912-35-5
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/ciwujianoside-d1.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(C)(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
C55H88O22
Molecular Weight
1101.27
References & Citations
[1]Umeyama A, et, al. Ciwujianosides D1 and C1: powerful inhibitors of histamine release induced by anti-immunoglobulin E from rat peritoneal mast cells. J Pharm Sci. 1992 Jul;81 (7) :661-2.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ciwujianoside D1

Ciwujianoside D1 has been reported in Eleutherococcus senticosus with data available.

CAS Number114912-35-5
PubChem CID163951
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)-2,2,6a,6b,9,9,12a-heptamethyl-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 FormulaC55H88O22
Molecular Weight1101.3
XLogP0.9
Topological Polar Surface Area340
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count22
Rotatable Bond Count13
Heavy Atom Count77
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@@]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)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)COC(=O)C)O)O)O
InChI
InChI=1S/C55H88O22/c1-24-34(58)37(61)41(65)47(72-24)76-44-30(23-69-25(2)56)74-45(43(67)39(44)63)71-22-29-36(60)38(62)42(66)48(73-29)77-49(68)55-18-16-50(3,4)20-27(55)26-10-11-32-52(7)14-13-33(75-46-40(64)35(59)28(57)21-70-46)51(5,6)31(52)12-15-54(32,9)53(26,8)17-19-55/h10,24,27-48,57-67H,11-23H2,1-9H3/t24-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,52-,53+,54+,55-/m0/s1
InChIKey
SXLYHZXGNXAASM-VBSKCKADSA-N
Chemical Structure
2D Structure
2D structure of Ciwujianoside D1
CAS: 114912-35-5
CID: 163951
Formula: C55H88O22
MW: 1101.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1101.3
XLogP30.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count22
Rotatable Bond Count13
Exact Mass1100.57672443
Monoisotopic Mass1100.57672443
Topological Polar Surface Area340 Ų
Heavy Atom Count77
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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N1951-5Ciwujianoside-B
PEA90674-01Ciwujianoside C3
FC173375-01Ciwujianoside E
TBW00827Ciwujianoside A1
MBS5824363Ciwujianoside C1
MBS5824362Ciwujianoside C4
GTR19227671-01Ciwujianoside D2
GTR19227670-01Ciwujianoside C2
TBZ0181Ciwujianoside D1
AB3139Ciwujianoside B

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