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Peucedanoside A

CAT: 0804-HY-N11575Size: 1 EachDry Ice: NoHazardous: No
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Description
Peucedanoside A is a glycoside that can be isolated from the roots of Peucedanum praeruptorum Dunn[1].
CAS Number
946122-87-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/peucedanoside-a.html
Solubility
10 mM in DMSO
Smiles
C[C@@H]1[C@]2([H])[C@@](O[C@H]1O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)([H])C4=C(O2)C=CC(C=C5)=C4OC5=O
Molecular Formula
C20H22O10
Molecular Weight
422.38
References & Citations
[1]Chang H, et al. 1H and 13C NMR assignments for two new angular furanocoumarin glycosides from Peucedanum praeruptorum. Magn Reson Chem. 2007 Jul;45 (7) :611-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Peucedanoside A
CAS Number946122-87-8
PubChem CID168355620
IUPAC Name(12R,13R,14S,16R)-13-methyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,11,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),5,8-tetraen-4-one
Molecular FormulaC20H22O10
Molecular Weight422.4
XLogP-0.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity699
SMILES
C[C@@H]1[C@@H]2[C@@H](C3=C(O2)C=CC4=C3OC(=O)C=C4)O[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C20H22O10/c1-7-16-18(12-9(26-16)4-2-8-3-5-11(22)28-17(8)12)29-19(7)30-20-15(25)14(24)13(23)10(6-21)27-20/h2-5,7,10,13-16,18-21,23-25H,6H2,1H3/t7-,10-,13-,14+,15-,16-,18-,19+,20+/m1/s1
InChIKey
SHTWASFOJJUXIC-KTKFYOGDSA-N
Chemical Structure
2D Structure
2D structure of Peucedanoside A
CAS: 946122-87-8
CID: 168355620
Formula: C20H22O10
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass422.12129689
Monoisotopic Mass422.12129689
Topological Polar Surface Area144 Ų
Heavy Atom Count30
Formal Charge0
Complexity699
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
GTR19269195Peucedanoside A

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