Jionoside A1
TL;DR: Jionoside A1 (CAS 120444-60-2) is a chemical compound with molecular formula C36H48O20 and molecular weight 800.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Jionoside A1, JionosideA1, Wiedemanninoside C, HY-N5045, J3.335.698F
| Molecular Formula | C36H48O20 |
|---|---|
| Molecular Weight | 800.27 g/mol |
| LogP | -2.8887 |
| Topological Polar Surface Area | 313.44 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 800.27386 |
| Heavy Atoms | 56 |
| Complexity | 1622.8878 |
Chemical Identifiers
| CAS Number | 120444-60-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
Product Overview
Jionoside A1 (CAS 120444-60-2), with molecular formula C36H48O20 and molecular weight 800.27 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Jionoside A1
Property Insights of Jionoside A1
The XLogP value of -2.8887 indicates that Jionoside A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 313.44 Ų indicates high polarity, suggesting Jionoside A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jionoside A1 has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jionoside A1?
The CAS number of Jionoside A1 is 120444-60-2.
What is the molecular formula of Jionoside A1?
The molecular formula of Jionoside A1 is C36H48O20.
What is the molecular weight of Jionoside A1?
The molecular weight of Jionoside A1 is 800.27 g/mol.
Where can I buy Jionoside A1?
You can request a quote for Jionoside A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jionoside A1?
Yes, KEHONG BIO provides custom synthesis services for Jionoside A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.