Psolusoside A
TL;DR: Psolusoside A (CAS 90077-71-7) is a chemical compound with molecular formula C54H82Na2O28S2 and molecular weight 1288.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[4-[3,5-dihydroxy-4-methoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[6-[4,5-dihydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate
Also Known As: Psolusoside A, psolusoside-A, Disodium;[4-[3,5-dihydroxy-4-methoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[6-[4,5-dihydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate
| Molecular Formula | C54H82Na2O28S2 |
|---|---|
| Molecular Weight | 1288.42 g/mol |
| LogP | -7.2319 |
| Topological Polar Surface Area | 438.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 17 |
| Exact Mass | 1288.423 |
| Heavy Atoms | 86 |
| Complexity | 2660.0 |
Chemical Identifiers
| CAS Number | 90077-71-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(=O)CC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CCCC(=C)C)C)O)O)O)O)OC8C(C(C(C(O8)COS(=O)(=O)[O-])O)OC9C(C(C(C(O9)COS(=O)(=O)[O-])O)OC)O)O.[Na+].[Na+] |
| InChIKey | AKXILWDVWUICSJ-UHFFFAOYSA-L |
Product Overview
Psolusoside A (CAS 90077-71-7), with molecular formula C54H82Na2O28S2 and molecular weight 1288.42 g/mol. IUPAC: disodium;[4-[3,5-dihydroxy-4-methoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[6-[4,5-dihydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate.
Chemical Property Profile of Psolusoside A
Property Insights of Psolusoside A
The XLogP value of -7.2319 indicates that Psolusoside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 438.0 Ų indicates high polarity, suggesting Psolusoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Psolusoside A has 8 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Psolusoside A?
The CAS number of Psolusoside A is 90077-71-7.
What is the molecular formula of Psolusoside A?
The molecular formula of Psolusoside A is C54H82Na2O28S2.
What is the molecular weight of Psolusoside A?
The molecular weight of Psolusoside A is 1288.42 g/mol.
Where can I buy Psolusoside A?
You can request a quote for Psolusoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Psolusoside A?
Yes, KEHONG BIO provides custom synthesis services for Psolusoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.