Gentiopicroside
TL;DR: Gentiopicroside (CAS 21233-18-1) is a chemical compound with molecular formula C29H30O14 and molecular weight 602.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Also Known As: Gentiopicroside, Amaroswerin, W 36017, (1,1'-Biphenyl)-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one, (4aR-(4aalpha,5beta,6alpha))-, [(2S,3R,4S,5S,6R)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
| Molecular Formula | C29H30O14 |
|---|---|
| Molecular Weight | 602.16 g/mol |
| LogP | 0.1718 |
| Topological Polar Surface Area | 221.9 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 602.1636 |
| Heavy Atoms | 43 |
| Complexity | 1438.2568 |
Chemical Identifiers
| CAS Number | 21233-18-1 |
|---|---|
| SMILES | C=C[C@H]1C(OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O |
Product Overview
Gentiopicroside (CAS 21233-18-1), with molecular formula C29H30O14 and molecular weight 602.16 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate.
Chemical Property Profile of Gentiopicroside
Property Insights of Gentiopicroside
The XLogP value of 0.1718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gentiopicroside. The TPSA of 221.9 Ų indicates high polarity, suggesting Gentiopicroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gentiopicroside has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gentiopicroside?
The CAS number of Gentiopicroside is 21233-18-1.
What is the molecular formula of Gentiopicroside?
The molecular formula of Gentiopicroside is C29H30O14.
What is the molecular weight of Gentiopicroside?
The molecular weight of Gentiopicroside is 602.16 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.