Parillin
TL;DR: Parillin (CAS 19057-61-5) is a chemical compound with molecular formula C51H84O22 and molecular weight 1048.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Parillin, Sarsasaponin, Smilacin, Dihydrochloride, SMILASAPONIN
| Molecular Formula | C51H84O22 |
|---|---|
| Molecular Weight | 1048.55 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1048.5454 |
| Heavy Atoms | 73 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 19057-61-5 |
|---|---|
| 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[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C)C)C)OC1 |
| InChIKey | DLUTTXMPJCVUFR-HJCIYZGTSA-N |
Product Overview
Parillin (CAS 19057-61-5), with molecular formula C51H84O22 and molecular weight 1048.55 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Parillin
Property Insights of Parillin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Parillin. The TPSA of 335.0 Ų indicates high polarity, suggesting Parillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Parillin has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Parillin?
The CAS number of Parillin is 19057-61-5.
What is the molecular formula of Parillin?
The molecular formula of Parillin is C51H84O22.
What is the molecular weight of Parillin?
The molecular weight of Parillin is 1048.55 g/mol.
Where can I buy Parillin?
You can request a quote for Parillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parillin?
Yes, KEHONG BIO provides custom synthesis services for Parillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.