Ikarisoside E
TL;DR: Ikarisoside E (CAS 113558-13-7) is a chemical compound with molecular formula C26H26O10 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
Also Known As: Ikarisoside E, 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-, 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one, 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-, 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pyrano[2,3-h]chromen-4-one
| Molecular Formula | C26H26O10 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 2.2617 |
| Topological Polar Surface Area | 159.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.1526 |
| Heavy Atoms | 36 |
| Complexity | 1405.2227 |
Chemical Identifiers
| CAS Number | 113558-13-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)C5=CC=C(C=C5)O)O)O)O |
Product Overview
Ikarisoside E (CAS 113558-13-7), with molecular formula C26H26O10 and molecular weight 498.15 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one.
Chemical Property Profile of Ikarisoside E
Property Insights of Ikarisoside E
The XLogP value of 2.2617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ikarisoside E. The TPSA of 159.05 Ų indicates high polarity, suggesting Ikarisoside E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ikarisoside E has 5 hydrogen bond donor(s) and 10 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 Ikarisoside E?
The CAS number of Ikarisoside E is 113558-13-7.
What is the molecular formula of Ikarisoside E?
The molecular formula of Ikarisoside E is C26H26O10.
What is the molecular weight of Ikarisoside E?
The molecular weight of Ikarisoside E is 498.15 g/mol.
Where can I buy Ikarisoside E?
You can request a quote for Ikarisoside E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ikarisoside E?
Yes, KEHONG BIO provides custom synthesis services for Ikarisoside E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.