Soyasaponin A3
TL;DR: Soyasaponin A3 (CAS 114077-04-2) is a chemical compound with molecular formula C48H78O19 and molecular weight 958.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[9,10-dihydroxy-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-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Soyasaponin A3, 21,22,23-trihydroxyolean-12-en-3-yl 6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acid, 21,22,23-trihydroxyolean-12-en-3-yl 6-deoxyhexopyranosyl-(1-, RefChem:1064907
| Molecular Formula | C48H78O19 |
|---|---|
| Molecular Weight | 958.51 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 958.51373 |
| Heavy Atoms | 67 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 114077-04-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| InChIKey | NQGDGFITHGCDAO-UHFFFAOYSA-N |
Product Overview
Soyasaponin A3 (CAS 114077-04-2), with molecular formula C48H78O19 and molecular weight 958.51 g/mol. IUPAC: 6-[[9,10-dihydroxy-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-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Soyasaponin A3
Property Insights of Soyasaponin A3
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Soyasaponin A3. The TPSA of 315.0 Ų indicates high polarity, suggesting Soyasaponin A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponin A3 has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soyasaponin A3?
The CAS number of Soyasaponin A3 is 114077-04-2.
What is the molecular formula of Soyasaponin A3?
The molecular formula of Soyasaponin A3 is C48H78O19.
What is the molecular weight of Soyasaponin A3?
The molecular weight of Soyasaponin A3 is 958.51 g/mol.
Where can I buy Soyasaponin A3?
You can request a quote for Soyasaponin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponin A3?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.