Ikarisoside C
TL;DR: Ikarisoside C (CAS 113558-11-5) is a chemical compound with molecular formula C39H50O19 and molecular weight 822.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
Also Known As: Ikarisoside C, 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one, 3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one, 4H-1-Benzopyran-4-one,3-[(6-deoxy-2-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-bute-1-nyl)-
| Molecular Formula | C39H50O19 |
|---|---|
| Molecular Weight | 822.29 g/mol |
| LogP | -1.7473 |
| Topological Polar Surface Area | 319.12 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 822.2946 |
| Heavy Atoms | 58 |
| Complexity | 1976.0435 |
Chemical Identifiers
| CAS Number | 113558-11-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O |
Product Overview
Ikarisoside C (CAS 113558-11-5), with molecular formula C39H50O19 and molecular weight 822.29 g/mol. IUPAC: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one.
Chemical Property Profile of Ikarisoside C
Property Insights of Ikarisoside C
The XLogP value of -1.7473 indicates that Ikarisoside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.12 Ų indicates high polarity, suggesting Ikarisoside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ikarisoside C has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ikarisoside C?
The CAS number of Ikarisoside C is 113558-11-5.
What is the molecular formula of Ikarisoside C?
The molecular formula of Ikarisoside C is C39H50O19.
What is the molecular weight of Ikarisoside C?
The molecular weight of Ikarisoside C is 822.29 g/mol.
Where can I buy Ikarisoside C?
You can request a quote for Ikarisoside C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ikarisoside C?
Yes, KEHONG BIO provides custom synthesis services for Ikarisoside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.