Hunterioside
TL;DR: Hunterioside (CAS 156431-08-2) is a chemical compound with molecular formula C32H42N2O14 and molecular weight 678.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Also Known As: Hunterioside, 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid, (2S-(2alpha,3beta,4beta(R*)))-3-Ethenyl-2-((6-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-3,4-dihydro-4-((2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)methyl)-2H-pyran-5-carboxylic acid, 3-Ethenyl-2-((6-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-3,4-dihydro-4-((2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)methyl)-2H-pyran-5-carboxylic acid (2S-(2alpha,3beta,4beta(R*)))-, 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-((6-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-3,4-dihydro-4-((2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)methyl)-, (2S-(2alpha,3beta,4beta(R*)))-
| Molecular Formula | C32H42N2O14 |
|---|---|
| Molecular Weight | 678.26 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 678.2636 |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 156431-08-2 |
|---|---|
| SMILES | C=CC1C(C(=COC1OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)C(=O)O)CC4C5=C(CCN4)C6=CC=CC=C6N5 |
| InChIKey | CTPVWRJHVRXFPI-UHFFFAOYSA-N |
Product Overview
Hunterioside (CAS 156431-08-2), with molecular formula C32H42N2O14 and molecular weight 678.26 g/mol. IUPAC: 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid.
Chemical Property Profile of Hunterioside
Property Insights of Hunterioside
The XLogP value of -4.2 indicates that Hunterioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting Hunterioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hunterioside has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hunterioside?
The CAS number of Hunterioside is 156431-08-2.
What is the molecular formula of Hunterioside?
The molecular formula of Hunterioside is C32H42N2O14.
What is the molecular weight of Hunterioside?
The molecular weight of Hunterioside is 678.26 g/mol.
Where can I buy Hunterioside?
You can request a quote for Hunterioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hunterioside?
Yes, KEHONG BIO provides custom synthesis services for Hunterioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.