Aspafilioside C
TL;DR: Aspafilioside C (CAS 131123-74-5) is a chemical compound with molecular formula C49H82O22 and molecular weight 1022.5298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[16-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Aspafilioside C, 2-[4-[16-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 5beta-Furost-3beta,22,26-triol-3-O-beta-D-xylopyranosyl-(1-4)-(alpha-L-arabinopyranosyl (1-6))-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside, 2-(4-(16-(3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-6-((3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosan-6-yl)-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, 22-Hydroxy-3-{[pentopyranosyl-(1->4)-[pentopyranosyl-(1->6)]hexopyranosyl]oxy}furostan-27-yl hexopyranoside
Technical Specifications
| Molecular Formula | C49H82O22 |
| Molecular Weight | 1022.5298 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 346.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1022.5298 Da |
| Heavy Atoms | 71 |
| Complexity | 1770.0 |
| SMILES | CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)OC8C(C(C(CO8)O)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O |
| InChIKey | GNLNTGLCBAHLPE-UHFFFAOYSA-N |
Chemical Property Profile of Aspafilioside C
Property Insights of Aspafilioside C
The XLogP value of -1.3 indicates that Aspafilioside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting Aspafilioside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspafilioside C has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aspafilioside C?
The CAS number of Aspafilioside C is 131123-74-5.
What is the molecular formula of Aspafilioside C?
The molecular formula of Aspafilioside C is C49H82O22.
What is the molecular weight of Aspafilioside C?
The molecular weight of Aspafilioside C is 1022.5298 g/mol.
Where can I buy Aspafilioside C?
You can request a quote for Aspafilioside C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aspafilioside C?
Yes, CoreyChem provides custom synthesis services for Aspafilioside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.