Soyasaponin III
TL;DR: Soyasaponin III (CAS 55304-02-4) is a chemical compound with molecular formula C42H68O14 and molecular weight 796.46 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,9S,12aR,14bR)-9-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 III, (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-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,21alpha)-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl
| Molecular Formula | C42H68O14 |
|---|---|
| Molecular Weight | 796.46 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 796.4609 |
| Heavy Atoms | 56 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 55304-02-4 |
|---|---|
| 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[C@@H]2O)(C)C)C |
| InChIKey | OKIHRVKXRCAJFQ-ZYNCYBBUSA-N |
Product Overview
Soyasaponin III (CAS 55304-02-4), with molecular formula C42H68O14 and molecular weight 796.46 g/mol. IUPAC: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-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 III
Property Insights of Soyasaponin III
The XLogP value of 3.5 indicates that Soyasaponin III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Soyasaponin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponin III 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 Soyasaponin III?
The CAS number of Soyasaponin III is 55304-02-4.
What is the molecular formula of Soyasaponin III?
The molecular formula of Soyasaponin III is C42H68O14.
What is the molecular weight of Soyasaponin III?
The molecular weight of Soyasaponin III is 796.46 g/mol.
Where can I buy Soyasaponin III?
You can request a quote for Soyasaponin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponin III?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.