Soyasaponin II
TL;DR: Soyasaponin II (CAS 55319-36-3) is a chemical compound with molecular formula C47H76O17 and molecular weight 912.51 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,4aR,6aR,6bS,8aR,9S,12aS,14aR,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]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Soyasaponin II, (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,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]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-alpha-L-arabinopyranosyl-(1-2)-
| Molecular Formula | C47H76O17 |
|---|---|
| Molecular Weight | 912.51 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 912.50824 |
| Heavy Atoms | 64 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 55319-36-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O |
| InChIKey | IBZLICPLPYSFNZ-MZKFGPPESA-N |
Product Overview
Soyasaponin II (CAS 55319-36-3), with molecular formula C47H76O17 and molecular weight 912.51 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,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]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Soyasaponin II
Property Insights of Soyasaponin II
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Soyasaponin II. The TPSA of 275.0 Ų indicates high polarity, suggesting Soyasaponin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponin II has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soyasaponin II?
The CAS number of Soyasaponin II is 55319-36-3.
What is the molecular formula of Soyasaponin II?
The molecular formula of Soyasaponin II is C47H76O17.
What is the molecular weight of Soyasaponin II?
The molecular weight of Soyasaponin II is 912.51 g/mol.
Where can I buy Soyasaponin II?
You can request a quote for Soyasaponin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponin II?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.