Solasonine
TL;DR: Solasonine (CAS 21886-12-4) is a chemical compound with molecular formula C45H73NO16 and molecular weight 883.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solasonine, Solasonin, solanine-S, alpha-Solasonine, Alpha-solamargine
| Molecular Formula | C45H73NO16 |
|---|---|
| Molecular Weight | 883.49 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 883.4929 |
| Heavy Atoms | 62 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 21886-12-4 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1 |
| InChIKey | QCTMYNGDIBTNSK-QOYYGLBOSA-N |
Product Overview
Solasonine (CAS 21886-12-4), with molecular formula C45H73NO16 and molecular weight 883.49 g/mol. IUPAC: 2-[5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Solasonine
Property Insights of Solasonine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solasonine. The TPSA of 259.0 Ų indicates high polarity, suggesting Solasonine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solasonine 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 Solasonine?
The CAS number of Solasonine is 21886-12-4.
What is the molecular formula of Solasonine?
The molecular formula of Solasonine is C45H73NO16.
What is the molecular weight of Solasonine?
The molecular weight of Solasonine is 883.49 g/mol.
Where can I buy Solasonine?
You can request a quote for Solasonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solasonine?
Yes, KEHONG BIO provides custom synthesis services for Solasonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.