Degalactotigonin
TL;DR: Degalactotigonin (CAS 52605-44-4) is a chemical compound with molecular formula C50H82O22 and molecular weight 1034.53 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,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-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Degalactotigonin, Uttronin A, Desgalactotigonin, Dihydroaspidistrin, beta-Lycotetraosyltigogenin
| Molecular Formula | C50H82O22 |
|---|---|
| Molecular Weight | 1034.53 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1034.5298 |
| Heavy Atoms | 72 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 52605-44-4 |
|---|---|
| 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[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)O)O)O)C)C)C)OC1 |
| InChIKey | BJNQXJIQCPPOHN-NUKVSUKUSA-N |
Product Overview
Degalactotigonin (CAS 52605-44-4), with molecular formula C50H82O22 and molecular weight 1034.53 g/mol. IUPAC: (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-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Degalactotigonin
Property Insights of Degalactotigonin
The XLogP value of -0.4 indicates that Degalactotigonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.0 Ų indicates high polarity, suggesting Degalactotigonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Degalactotigonin 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 Degalactotigonin?
The CAS number of Degalactotigonin is 52605-44-4.
What is the molecular formula of Degalactotigonin?
The molecular formula of Degalactotigonin is C50H82O22.
What is the molecular weight of Degalactotigonin?
The molecular weight of Degalactotigonin is 1034.53 g/mol.
Where can I buy Degalactotigonin?
You can request a quote for Degalactotigonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Degalactotigonin?
Yes, KEHONG BIO provides custom synthesis services for Degalactotigonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.