Astragaloside IV
TL;DR: Astragaloside IV (CAS 1191113-50-4) is a chemical compound with molecular formula C41H68O14 and molecular weight 784.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[(3R,9R,12S,14R,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Astragaloside IV, Astragaloside A, Astragalus Extract, Astragaloside IV?, 3beta,6alpha,16beta,20R,24S; astragaloside IV of astragaloside A
| Molecular Formula | C41H68O14 |
|---|---|
| Molecular Weight | 784.46 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 784.4609 |
| Heavy Atoms | 55 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 1191113-50-4 |
|---|---|
| SMILES | C[C@]12CCC34C[C@@]35CCC(C(C5[C@@H](CC4[C@@]1(C[C@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O |
| InChIKey | QMNWISYXSJWHRY-CSXKERSZSA-N |
Product Overview
Astragaloside IV (CAS 1191113-50-4), with molecular formula C41H68O14 and molecular weight 784.46 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(3R,9R,12S,14R,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Astragaloside IV
Property Insights of Astragaloside IV
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Astragaloside IV. The TPSA of 228.0 Ų indicates high polarity, suggesting Astragaloside IV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astragaloside IV has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Astragaloside IV?
The CAS number of Astragaloside IV is 1191113-50-4.
What is the molecular formula of Astragaloside IV?
The molecular formula of Astragaloside IV is C41H68O14.
What is the molecular weight of Astragaloside IV?
The molecular weight of Astragaloside IV is 784.46 g/mol.
Where can I buy Astragaloside IV?
You can request a quote for Astragaloside IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astragaloside IV?
Yes, KEHONG BIO provides custom synthesis services for Astragaloside IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.