Cucumarioside A3
TL;DR: Cucumarioside A3 (CAS 178209-19-3) is a chemical compound with molecular formula C59H90Na2O32S2 and molecular weight 1420.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[(2R,3R,4S,5R,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4S,5R,6S)-4-hydroxy-6-[(2S,3R,4R,5R)-4-hydroxy-2-[[(2S,5S,6S,12R,13R,16S,18R)-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-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl sulfate
Also Known As: Cucumarioside A3, Cucumarioside A3-2, Cucumarioside A3-2 (C59), Lanosta-7,25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-6-O-sulfo-beta-D-glucopyranosyl-(1-4)-O-(beta-D-xylopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-16-oxo-, gamma-lactone, disodium salt, (3beta)-
| Molecular Formula | C59H90Na2O32S2 |
|---|---|
| Molecular Weight | 1420.47 g/mol |
| LogP | -8.7686 |
| Topological Polar Surface Area | 497.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 19 |
| Exact Mass | 1420.4652 |
| Heavy Atoms | 95 |
| Complexity | 2940.0 |
Chemical Identifiers
| CAS Number | 178209-19-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CCC67[C@H](C(=O)C[C@]6(C5=CC[C@H]4C3(C)C)C)[C@](OC7=O)(C)CCCC(=C)C)C)OS(=O)(=O)[O-])O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COS(=O)(=O)[O-])O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O.[Na+].[Na+] |
| InChIKey | XJNAUGGMPYBODO-YYADNWRZSA-L |
Product Overview
Cucumarioside A3 (CAS 178209-19-3), with molecular formula C59H90Na2O32S2 and molecular weight 1420.47 g/mol. IUPAC: disodium;[(2R,3R,4S,5R,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4S,5R,6S)-4-hydroxy-6-[(2S,3R,4R,5R)-4-hydroxy-2-[[(2S,5S,6S,12R,13R,16S,18R)-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-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl sulfate.
Chemical Property Profile of Cucumarioside A3
Property Insights of Cucumarioside A3
The XLogP value of -8.7686 indicates that Cucumarioside A3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 497.0 Ų indicates high polarity, suggesting Cucumarioside A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucumarioside A3 has 10 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucumarioside A3?
The CAS number of Cucumarioside A3 is 178209-19-3.
What is the molecular formula of Cucumarioside A3?
The molecular formula of Cucumarioside A3 is C59H90Na2O32S2.
What is the molecular weight of Cucumarioside A3?
The molecular weight of Cucumarioside A3 is 1420.47 g/mol.
Where can I buy Cucumarioside A3?
You can request a quote for Cucumarioside A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucumarioside A3?
Yes, KEHONG BIO provides custom synthesis services for Cucumarioside A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.