![Astragaloside I [M+H]+ structure](/static/products/846/84680-75-1.png)
Astragaloside I [M+H]+
TL;DR: Astragaloside I [M+H]+ (CAS 84680-75-1) is a chemical compound with molecular formula C45H72O16 and molecular weight 868.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-5-hydroxy-2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate
Also Known As: Astragaloside I, Astragaloside I [M+H]+, (2S,3R,4S,5R)-5-Hydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetra, 4-(acetyloxy)-5-hydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0(1),(3).0(3),?.0(1)(2),(1)?]octadecan-6-yl}oxy)oxan-3-yl acetate
| Molecular Formula | C45H72O16 |
|---|---|
| Molecular Weight | 868.48 g/mol |
| LogP | 1.8657 |
| Topological Polar Surface Area | 240.36 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 868.48206 |
| Heavy Atoms | 61 |
| Complexity | 1684.7855 |
Chemical Identifiers
| CAS Number | 84680-75-1 |
|---|---|
| SMILES | CC(=O)OC1C(COC(C1OC(=O)C)OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)O)C)C)O |
Product Overview
Astragaloside I [M+H]+ (CAS 84680-75-1), with molecular formula C45H72O16 and molecular weight 868.48 g/mol. IUPAC: [3-acetyloxy-5-hydroxy-2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate.
Chemical Property Profile of Astragaloside I [M+H]+
Property Insights of Astragaloside I [M+H]+
The XLogP value of 1.8657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Astragaloside I [M+H]+. The TPSA of 240.36 Ų indicates high polarity, suggesting Astragaloside I [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astragaloside I [M+H]+ has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Astragaloside I [M+H]+?
The CAS number of Astragaloside I [M+H]+ is 84680-75-1.
What is the molecular formula of Astragaloside I [M+H]+?
The molecular formula of Astragaloside I [M+H]+ is C45H72O16.
What is the molecular weight of Astragaloside I [M+H]+?
The molecular weight of Astragaloside I [M+H]+ is 868.48 g/mol.
Where can I buy Astragaloside I [M+H]+?
You can request a quote for Astragaloside I [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astragaloside I [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Astragaloside I [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.