Tubeimoside III
TL;DR: Tubeimoside III (CAS 115810-13-4) is a chemical compound with molecular formula C64H100O31 and molecular weight 1364.6249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Also Known As: Tubeimoside III, Tubeimoside, 7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione, (2beta,3beta(S),4alpha,16alpha)-28-(O-beta-D-Xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxyolean-12-en-28-oate, 7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Technical Specifications
| Molecular Formula | C64H100O31 |
| Molecular Weight | 1364.6249 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 486.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 4 |
| Exact Mass | 1364.6249 Da |
| Heavy Atoms | 95 |
| Complexity | 2800.0 |
| SMILES | CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5O)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O |
| InChIKey | MTICHQXHYUJVDV-UHFFFAOYSA-N |
Chemical Property Profile of Tubeimoside III
Property Insights of Tubeimoside III
The XLogP value of -3.6 indicates that Tubeimoside III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 486.0 Ų indicates high polarity, suggesting Tubeimoside III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tubeimoside III has 16 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tubeimoside III?
The CAS number of Tubeimoside III is 115810-13-4.
What is the molecular formula of Tubeimoside III?
The molecular formula of Tubeimoside III is C64H100O31.
What is the molecular weight of Tubeimoside III?
The molecular weight of Tubeimoside III is 1364.6249 g/mol.
Where can I buy Tubeimoside III?
You can request a quote for Tubeimoside III directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tubeimoside III?
Yes, CoreyChem provides custom synthesis services for Tubeimoside III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.