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Paederoside

CAT: 0957-E0752-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0752-02Size:25 mg
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Description
Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa and inhibits Epstein-Barr virus (EBV) early antigen (EA) .
CAS Number
20547-45-9
Target
Others
Activity
Others
Molecular Formula
C18H22O11S
Storage Conditions
3 years -20°C powder

Chemical Information

Paederoside

Paederoside is a glycoside.

CAS Number20547-45-9
PubChem CID442432
IUPAC Name[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate
Molecular FormulaC18H22O11S
Molecular Weight446.4
XLogP-1.5
Topological Polar Surface Area187
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity767
SMILES
CSC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChIKey
OJISWUQNQQWEND-FCVLBCLDSA-N
Chemical Structure
2D Structure
2D structure of Paederoside
CAS: 20547-45-9
CID: 442432
Formula: C18H22O11S
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass446.08828269
Monoisotopic Mass446.08828269
Topological Polar Surface Area187 Ų
Heavy Atom Count30
Formal Charge0
Complexity767
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