Paederoside
TL;DR: Paederoside (CAS 20547-45-9) is a chemical compound with molecular formula C18H22O11S and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
Also Known As: PAEDEROSIDE, Pederoside, MEGxp0_000910, ACon0_001258, ACon1_000548
| Molecular Formula | C18H22O11S |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0883 |
| Heavy Atoms | 30 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 20547-45-9 |
|---|---|
| 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 |
| InChIKey | OJISWUQNQQWEND-FCVLBCLDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Paederoside (CAS 20547-45-9), with molecular formula C18H22O11S and molecular weight 446.09 g/mol. IUPAC: [(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.
Chemical Property Profile of Paederoside
Property Insights of Paederoside
The XLogP value of -1.5 indicates that Paederoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting Paederoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paederoside has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Paederoside?
The CAS number of Paederoside is 20547-45-9.
What is the molecular formula of Paederoside?
The molecular formula of Paederoside is C18H22O11S.
What is the molecular weight of Paederoside?
The molecular weight of Paederoside is 446.09 g/mol.
Where can I buy Paederoside?
You can request a quote for Paederoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paederoside?
Yes, KEHONG BIO provides custom synthesis services for Paederoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.