Spiroakyroside
TL;DR: Spiroakyroside (CAS 139390-87-7) is a chemical compound with molecular formula C51H78O24 and molecular weight 1074.4883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
Also Known As: Spiroakyroside, 16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one, Akyrogenin 3-O-beta-D-glucopyranosyl(1-3)-(beta-D-glucopyranosyl(1-2))-beta-D-glucopyranosyl(1-4)-beta-D-galactopyranoside, 12-oxospirosta-5,25(27)-dien-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside, Spirosta-5,25(27)-dien-12-one,3-[(O-b-D-glucopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-O-b-D-glucopyranosyl-(1®4)-b-D-galactopyranosyl)oxy]-, (3b)-
Technical Specifications
| Molecular Formula | C51H78O24 |
| Molecular Weight | 1074.4883 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 372.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Exact Mass | 1074.4883 Da |
| Heavy Atoms | 75 |
| Complexity | 2080.0 |
| SMILES | CC1C2C(CC3C2(C(=O)CC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC11CCC(=C)CO1 |
| InChIKey | BIHZKQDCPFYJMI-UHFFFAOYSA-N |
Chemical Property Profile of Spiroakyroside
Property Insights of Spiroakyroside
The XLogP value of -3.5 indicates that Spiroakyroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting Spiroakyroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiroakyroside has 13 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Spiroakyroside?
The CAS number of Spiroakyroside is 139390-87-7.
What is the molecular formula of Spiroakyroside?
The molecular formula of Spiroakyroside is C51H78O24.
What is the molecular weight of Spiroakyroside?
The molecular weight of Spiroakyroside is 1074.4883 g/mol.
Where can I buy Spiroakyroside?
You can request a quote for Spiroakyroside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spiroakyroside?
Yes, CoreyChem provides custom synthesis services for Spiroakyroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.