Sandosaponin A
TL;DR: Sandosaponin A (CAS 135272-91-2) is a chemical compound with molecular formula C48H76O19 and molecular weight 956.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Sandosaponin A, Soyasaponin Bd, Soyasapogenol E base + O-HexA-Hex-Hex, 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acid, 23-hydroxy-22-oxoolean-12-en-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acid
| Molecular Formula | C48H76O19 |
|---|---|
| Molecular Weight | 956.50 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 956.4981 |
| Heavy Atoms | 67 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 135272-91-2 |
|---|---|
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
| InChIKey | JTXVTHCLTOUSSL-UHFFFAOYSA-N |
Product Overview
Sandosaponin A (CAS 135272-91-2), with molecular formula C48H76O19 and molecular weight 956.50 g/mol. IUPAC: 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of Sandosaponin A
Property Insights of Sandosaponin A
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sandosaponin A. The TPSA of 312.0 Ų indicates high polarity, suggesting Sandosaponin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sandosaponin A has 11 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 Sandosaponin A?
The CAS number of Sandosaponin A is 135272-91-2.
What is the molecular formula of Sandosaponin A?
The molecular formula of Sandosaponin A is C48H76O19.
What is the molecular weight of Sandosaponin A?
The molecular weight of Sandosaponin A is 956.50 g/mol.
Where can I buy Sandosaponin A?
You can request a quote for Sandosaponin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sandosaponin A?
Yes, KEHONG BIO provides custom synthesis services for Sandosaponin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.