皂苷
TL;DR: 皂苷 (CAS 8047-15-2) 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.
皂苷
(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-(2-methylbut-2-enoyloxy)-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: Sapogenins Glycosides
| 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 | 8047-15-2 |
|---|---|
| SMILES | CC=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
皂苷 (CAS 8047-15-2), 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-(2-methylbut-2-enoyloxy)-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 皂苷
Property Insights of 皂苷
The XLogP value of -1.3211 indicates that 皂苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.04 Ų indicates high polarity, suggesting 皂苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 皂苷 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 皂苷?
The CAS number of 皂苷 is 8047-15-2.
What is the molecular formula of 皂苷?
The molecular formula of 皂苷 is C55H86O24.
What is the molecular weight of 皂苷?
The molecular weight of 皂苷 is 1130.55 g/mol.
Where can I buy 皂苷?
You can request a quote for 皂苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 皂苷?
Yes, KEHONG BIO provides custom synthesis services for 皂苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.