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Pumiloside

CAT: 0931-TN6268-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6268-01Size:1 mg
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CAS Number
126722-26-7
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
0.981
Bioactivity
Pumiloside ((3S) -Pumiloside) is a quinoline alkaloid glycoside that can be isolated from Nauclea officinalis.Pumiloside is an AchE inhibitor, which can be used in the study of Alzheimer's disease.
Smiles
O=C1N2[C@](C3=C(C2)C(=O)C=4C(N3)=CC=CC4)(C[C@@]5(C1=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5C=C)[H])[H]
Molecular Formula
C26H28N2O9
Molecular Weight
512.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pumiloside

Pumiloside is a glycoside.

CAS Number126722-26-7
PubChem CID10346314
IUPAC Name(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
Molecular FormulaC26H28N2O9
Molecular Weight512.5
XLogP-0.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity1040
SMILES
C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)C6=CC=CC=C6N4
InChI
InChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1
InChIKey
ODQBQUXGRYBRTP-FWMZWJSFSA-N
Chemical Structure
2D Structure
2D structure of Pumiloside
CAS: 126722-26-7
CID: 10346314
Formula: C26H28N2O9
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass512.17948047
Monoisotopic Mass512.17948047
Topological Polar Surface Area158 Ų
Heavy Atom Count37
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N11711-01Pumiloside

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