Soyasaponin A2
TL;DR: Soyasaponin A2 (CAS 78693-93-3) is a chemical compound with molecular formula C53H86O24 and molecular weight 1106.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9R,10S,12aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Soyasaponin A2, (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9R,10S,12aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (3beta,4beta,21beta,22beta)-22-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-, (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7
| Molecular Formula | C53H86O24 |
|---|---|
| Molecular Weight | 1106.55 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 394.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Exact Mass | 1106.5509 |
| Heavy Atoms | 77 |
| Complexity | 2140.0 |
Chemical Identifiers
| CAS Number | 78693-93-3 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC([C@@H]([C@@H]2O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)(C)C)C |
| InChIKey | QSWYVJWAKZGGIL-ISQBHCSUSA-N |
Product Overview
Soyasaponin A2 (CAS 78693-93-3), with molecular formula C53H86O24 and molecular weight 1106.55 g/mol. IUPAC: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9R,10S,12aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Soyasaponin A2
Property Insights of Soyasaponin A2
The XLogP value of -0.8 indicates that Soyasaponin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.0 Ų indicates high polarity, suggesting Soyasaponin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponin A2 has 15 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soyasaponin A2?
The CAS number of Soyasaponin A2 is 78693-93-3.
What is the molecular formula of Soyasaponin A2?
The molecular formula of Soyasaponin A2 is C53H86O24.
What is the molecular weight of Soyasaponin A2?
The molecular weight of Soyasaponin A2 is 1106.55 g/mol.
Where can I buy Soyasaponin A2?
You can request a quote for Soyasaponin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponin A2?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.