Tigonin
TL;DR: Tigonin (CAS 1329-83-5) is a chemical compound with molecular formula C56H92O27 and molecular weight 1196.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Tigonin, TIGONIN [MI], ran-3,4,5-triol, EINECS 215-529-4, ro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-py
| Molecular Formula | C56H92O27 |
|---|---|
| Molecular Weight | 1196.58 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 414.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 1196.5826 |
| Heavy Atoms | 83 |
| Complexity | 2160.0 |
Chemical Identifiers
| CAS Number | 1329-83-5 |
|---|---|
| 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)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | QERHBVOJJKVACB-NAURGQNWSA-N |
Product Overview
Tigonin (CAS 1329-83-5), with molecular formula C56H92O27 and molecular weight 1196.58 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Tigonin
Property Insights of Tigonin
The XLogP value of -2.0 indicates that Tigonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 414.0 Ų indicates high polarity, suggesting Tigonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tigonin has 15 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tigonin?
The CAS number of Tigonin is 1329-83-5.
What is the molecular formula of Tigonin?
The molecular formula of Tigonin is C56H92O27.
What is the molecular weight of Tigonin?
The molecular weight of Tigonin is 1196.58 g/mol.
Where can I buy Tigonin?
You can request a quote for Tigonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tigonin?
Yes, KEHONG BIO provides custom synthesis services for Tigonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.