Cucumarioside A6-2
TL;DR: Cucumarioside A6-2 (CAS 178209-18-2) 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)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(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]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl sulfate
Also Known As: Cucumarioside A6-2, disodium;[(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(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]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl sulfate, Lanosta-7,25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-6-O-sulfo-beta-D-glucopyranosyl-(1-3)-O-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 | 178209-18-2 |
|---|---|
| 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)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O)OC)O)O.[Na+].[Na+] |
| InChIKey | HIZHYZBTVOZQAI-YYADNWRZSA-L |
Product Overview
Cucumarioside A6-2 (CAS 178209-18-2), with molecular formula C59H90Na2O32S2 and molecular weight 1420.47 g/mol. IUPAC: disodium;[(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(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]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl sulfate.
Chemical Property Profile of Cucumarioside A6-2
Property Insights of Cucumarioside A6-2
The XLogP value of -8.7686 indicates that Cucumarioside A6-2 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 A6-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucumarioside A6-2 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 A6-2?
The CAS number of Cucumarioside A6-2 is 178209-18-2.
What is the molecular formula of Cucumarioside A6-2?
The molecular formula of Cucumarioside A6-2 is C59H90Na2O32S2.
What is the molecular weight of Cucumarioside A6-2?
The molecular weight of Cucumarioside A6-2 is 1420.47 g/mol.
Where can I buy Cucumarioside A6-2?
You can request a quote for Cucumarioside A6-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucumarioside A6-2?
Yes, KEHONG BIO provides custom synthesis services for Cucumarioside A6-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.