Saponins
TL;DR: Saponins (CAS 80433-71-2) is a chemical compound with molecular formula C55H86O24 and molecular weight 1130.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
Also Known As: Saponins, Flogencyl, Escin, beta-Aescusan, beta-Aescinu
| Molecular Formula | C55H86O24 |
|---|---|
| Molecular Weight | 1130.55 g/mol |
| LogP | -1.3211 |
| Topological Polar Surface Area | 388.04 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 1130.5509 |
| Heavy Atoms | 79 |
| Complexity | 2293.5833 |
Chemical Identifiers
| CAS Number | 80433-71-2 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C |
Product Overview
Saponins (CAS 80433-71-2), with molecular formula C55H86O24 and molecular weight 1130.55 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of Saponins
Property Insights of Saponins
The XLogP value of -1.3211 indicates that Saponins is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.04 Ų indicates high polarity, suggesting Saponins may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saponins has 13 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saponins?
The CAS number of Saponins is 80433-71-2.
What is the molecular formula of Saponins?
The molecular formula of Saponins is C55H86O24.
What is the molecular weight of Saponins?
The molecular weight of Saponins is 1130.55 g/mol.
Where can I buy Saponins?
You can request a quote for Saponins directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saponins?
Yes, KEHONG BIO provides custom synthesis services for Saponins and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.