Esculentoside Q
TL;DR: Esculentoside Q (CAS 139163-19-2) is a chemical compound with molecular formula C47H74O21 and molecular weight 974.4722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[4-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Also Known As: Esculentoside Q, 10-[4-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid, 3-O-(beta-D-Glucopyranosyl(1-4)-beta-D-xylopyranosyl(1-4)-beta-D-glucopyranosyl)jaligonic acid, 3-{[hexopyranosyl-(1->4)pentopyranosyl-(1->3)hexopyranosyl]oxy}-2,23-dihydroxyolean-12-ene-28,29-dioic acid
Technical Specifications
| Molecular Formula | C47H74O21 |
| Molecular Weight | 974.4722 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 353.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 974.4722 Da |
| Heavy Atoms | 68 |
| Complexity | 1910.0 |
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O |
| InChIKey | DQEHJIYKDAIEDH-UHFFFAOYSA-N |
Chemical Property Profile of Esculentoside Q
Property Insights of Esculentoside Q
The XLogP value of -1.1 indicates that Esculentoside Q is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 353.0 Ų indicates high polarity, suggesting Esculentoside Q may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esculentoside Q has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Esculentoside Q?
The CAS number of Esculentoside Q is 139163-19-2.
What is the molecular formula of Esculentoside Q?
The molecular formula of Esculentoside Q is C47H74O21.
What is the molecular weight of Esculentoside Q?
The molecular weight of Esculentoside Q is 974.4722 g/mol.
Where can I buy Esculentoside Q?
You can request a quote for Esculentoside Q directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Esculentoside Q?
Yes, CoreyChem provides custom synthesis services for Esculentoside Q and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.