Cucumarioside A7-1
TL;DR: Cucumarioside A7-1 (CAS 172274-40-7) is a chemical compound with molecular formula C59H89Na3O35S3 and molecular weight 1522.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;[6-[3,5-dihydroxy-2-[4-hydroxy-6-[4-hydroxy-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]-5-sulfonatooxyoxan-3-yl]oxy-2-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl sulfate
Also Known As: Cucumarioside A7-1
| Molecular Formula | C59H89Na3O35S3 |
|---|---|
| Molecular Weight | 1522.40 g/mol |
| LogP | -12.2801 |
| Topological Polar Surface Area | 551.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 20 |
| Exact Mass | 1522.4039 |
| Heavy Atoms | 100 |
| Complexity | 3190.0 |
Chemical Identifiers
| CAS Number | 172274-40-7 |
|---|---|
| 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)OS(=O)(=O)[O-])O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)COS(=O)(=O)[O-])O)OC1C(C(C(C(O1)COS(=O)(=O)[O-])O)OC)O)O.[Na+].[Na+].[Na+] |
| InChIKey | BNHCPZGOSVTHDM-UHFFFAOYSA-K |
Product Overview
Cucumarioside A7-1 (CAS 172274-40-7), with molecular formula C59H89Na3O35S3 and molecular weight 1522.40 g/mol. IUPAC: trisodium;[6-[3,5-dihydroxy-2-[4-hydroxy-6-[4-hydroxy-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]-5-sulfonatooxyoxan-3-yl]oxy-2-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl sulfate.
Chemical Property Profile of Cucumarioside A7-1
Property Insights of Cucumarioside A7-1
The XLogP value of -12.2801 indicates that Cucumarioside A7-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 551.0 Ų indicates high polarity, suggesting Cucumarioside A7-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucumarioside A7-1 has 9 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucumarioside A7-1?
The CAS number of Cucumarioside A7-1 is 172274-40-7.
What is the molecular formula of Cucumarioside A7-1?
The molecular formula of Cucumarioside A7-1 is C59H89Na3O35S3.
What is the molecular weight of Cucumarioside A7-1?
The molecular weight of Cucumarioside A7-1 is 1522.40 g/mol.
Where can I buy Cucumarioside A7-1?
You can request a quote for Cucumarioside A7-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucumarioside A7-1?
Yes, KEHONG BIO provides custom synthesis services for Cucumarioside A7-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.