Asperuloside
TL;DR: Asperuloside (CAS 14259-45-1) is a chemical compound with molecular formula C18H22O11 and molecular weight 414.1162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate
Also Known As: Asperuloside, rubichloric acid, Asperuloside (Standard), ASPERULOSIDE [MI], HY-N1382R
Technical Specifications
| Molecular Formula | C18H22O11 |
| Molecular Weight | 414.1162 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1162 Da |
| Heavy Atoms | 29 |
| Complexity | 746.0 |
| SMILES | CC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | IBIPGYWNOBGEMH-DILZHRMZSA-N |
Chemical Property Profile of Asperuloside
Property Insights of Asperuloside
The XLogP value of -2.4 indicates that Asperuloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Asperuloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asperuloside has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Asperuloside?
The CAS number of Asperuloside is 14259-45-1.
What is the molecular formula of Asperuloside?
The molecular formula of Asperuloside is C18H22O11.
What is the molecular weight of Asperuloside?
The molecular weight of Asperuloside is 414.1162 g/mol.
Where can I buy Asperuloside?
You can request a quote for Asperuloside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Asperuloside?
Yes, CoreyChem provides custom synthesis services for Asperuloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.