Gentiopicroside
TL;DR: Gentiopicroside (CAS 20831-76-9) is a chemical compound with molecular formula C16H20O9 and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
Also Known As: Gentiopicroside, Gentiopicrin, gentiopicorside, Gentiopicroside?, GENTIOPICRIN [MI]
| Molecular Formula | C16H20O9 |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 20831-76-9 |
|---|---|
| SMILES | C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | DUAGQYUORDTXOR-GPQRQXLASA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gentiopicroside (CAS 20831-76-9), with molecular formula C16H20O9 and molecular weight 356.11 g/mol. IUPAC: (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one.
Chemical Property Profile of Gentiopicroside
Property Insights of Gentiopicroside
The XLogP value of -1.2 indicates that Gentiopicroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gentiopicroside. Following Lipinski's Rule of Five, Gentiopicroside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gentiopicroside?
The CAS number of Gentiopicroside is 20831-76-9.
What is the molecular formula of Gentiopicroside?
The molecular formula of Gentiopicroside is C16H20O9.
What is the molecular weight of Gentiopicroside?
The molecular weight of Gentiopicroside is 356.11 g/mol.
Where can I buy Gentiopicroside?
You can request a quote for Gentiopicroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gentiopicroside?
Yes, KEHONG BIO provides custom synthesis services for Gentiopicroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.