Cucumarioside
TL;DR: Cucumarioside (CAS 74434-21-2) is a chemical compound with molecular formula C59H92NaO29S+ and molecular weight 1319.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [(3R,4R,5R)-5-[(2S,3R,5S)-5-[(2S,3R,4S,5R,6R)-4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[6,13,17,17-tetramethyl-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] hydrogen sulfate
Also Known As: Cucumarioside, sodium;[(3R,4R,5R)-5-[(2S,3R,5S)-5-[(2S,3R,4S,5R,6R)-4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[6,13,17,17-tetramethyl-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] hydrogen sulfate
| Molecular Formula | C59H92NaO29S+ |
|---|---|
| Molecular Weight | 1319.53 g/mol |
| LogP | -5.2621 |
| Topological Polar Surface Area | 431.03 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Exact Mass | 1319.5343 |
| Heavy Atoms | 90 |
| Complexity | 2674.0293 |
Chemical Identifiers
| CAS Number | 74434-21-2 |
|---|---|
| SMILES | CC1[C@H](C([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](COC2OC3CCC4(C5CCC67C(C5=CCC4C3(C)C)CC(=O)C6C(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)CO)O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O.[Na+] |
Product Overview
Cucumarioside (CAS 74434-21-2), with molecular formula C59H92NaO29S+ and molecular weight 1319.53 g/mol. IUPAC: sodium [(3R,4R,5R)-5-[(2S,3R,5S)-5-[(2S,3R,4S,5R,6R)-4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[6,13,17,17-tetramethyl-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] hydrogen sulfate.
Chemical Property Profile of Cucumarioside
Property Insights of Cucumarioside
The XLogP value of -5.2621 indicates that Cucumarioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 431.03 Ų indicates high polarity, suggesting Cucumarioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucumarioside has 12 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 Cucumarioside?
The CAS number of Cucumarioside is 74434-21-2.
What is the molecular formula of Cucumarioside?
The molecular formula of Cucumarioside is C59H92NaO29S+.
What is the molecular weight of Cucumarioside?
The molecular weight of Cucumarioside is 1319.53 g/mol.
Where can I buy Cucumarioside?
You can request a quote for Cucumarioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucumarioside?
Yes, KEHONG BIO provides custom synthesis services for Cucumarioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.