Kakkalide
TL;DR: Kakkalide (CAS 58274-56-9) is a chemical compound with molecular formula C28H32O15 and molecular weight 608.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Kakkalide, irisolidone 7-xylosylglucoside, Kakkalide(7-O-xylosylglucoside), 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, 5-Hydroxy-6-Methoxy-3-(4-Methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl)Oxy)Methyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-4H-Chromen-4-One
| Molecular Formula | C28H32O15 |
|---|---|
| Molecular Weight | 608.17 g/mol |
| LogP | -1.1752 |
| Topological Polar Surface Area | 227.2 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.17413 |
| Heavy Atoms | 43 |
| Complexity | 1473.7452 |
Chemical Identifiers
| CAS Number | 58274-56-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O |
Product Overview
Kakkalide (CAS 58274-56-9), with molecular formula C28H32O15 and molecular weight 608.17 g/mol. IUPAC: 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Kakkalide
Property Insights of Kakkalide
The XLogP value of -1.1752 indicates that Kakkalide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 227.2 Ų indicates high polarity, suggesting Kakkalide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kakkalide has 7 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 Kakkalide?
The CAS number of Kakkalide is 58274-56-9.
What is the molecular formula of Kakkalide?
The molecular formula of Kakkalide is C28H32O15.
What is the molecular weight of Kakkalide?
The molecular weight of Kakkalide is 608.17 g/mol.
Where can I buy Kakkalide?
You can request a quote for Kakkalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kakkalide?
Yes, KEHONG BIO provides custom synthesis services for Kakkalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.