Jionoside B1
TL;DR: Jionoside B1 (CAS 120406-37-3) is a chemical compound with molecular formula C37H50O20 and molecular weight 814.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5R,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] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Jionoside B1
| Molecular Formula | C37H50O20 |
|---|---|
| Molecular Weight | 814.29 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 814.28955 |
| Heavy Atoms | 57 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 120406-37-3 |
|---|---|
| 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=CC3=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)OC)O)O)O)O)O |
| InChIKey | FXFHFOSEURHWMO-SDCYGEPNSA-N |
Product Overview
Jionoside B1 (CAS 120406-37-3), with molecular formula C37H50O20 and molecular weight 814.29 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5R,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] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Jionoside B1
Property Insights of Jionoside B1
The XLogP value of -1.4 indicates that Jionoside B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 302.0 Ų indicates high polarity, suggesting Jionoside B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jionoside B1 has 10 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 B1?
The CAS number of Jionoside B1 is 120406-37-3.
What is the molecular formula of Jionoside B1?
The molecular formula of Jionoside B1 is C37H50O20.
What is the molecular weight of Jionoside B1?
The molecular weight of Jionoside B1 is 814.29 g/mol.
Where can I buy Jionoside B1?
You can request a quote for Jionoside B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jionoside B1?
Yes, KEHONG BIO provides custom synthesis services for Jionoside B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.