Desglucodigitonin
TL;DR: Desglucodigitonin (CAS 73205-29-5) is a chemical compound with molecular formula C50H82O24 and molecular weight 1066.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6S)-2-[(3S,4R,5'R,7S,8R,9S,13S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Desglucodigitonin, Digitonin, desgluco-, beta-D-Galactopyranoside, (2-alpha,3-beta,5-alpha,15-beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-, RefChem:1083185
| Molecular Formula | C50H82O24 |
|---|---|
| Molecular Weight | 1066.52 g/mol |
| LogP | -4.7352 |
| Topological Polar Surface Area | 386.52 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 10 |
| Exact Mass | 1066.5197 |
| Heavy Atoms | 74 |
| Complexity | 1929.9728 |
Chemical Identifiers
| CAS Number | 73205-29-5 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)[C@H](C4[C@@]3(CCC5C4CCC6[C@@]5(CC(C(C6)[C@@]7([C@@H]([C@H]([C@H]([C@@H](O7)CO)O)O[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](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)O)C)OC1 |
Product Overview
Desglucodigitonin (CAS 73205-29-5), with molecular formula C50H82O24 and molecular weight 1066.52 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6S)-2-[(3S,4R,5'R,7S,8R,9S,13S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Desglucodigitonin
Property Insights of Desglucodigitonin
The XLogP value of -4.7352 indicates that Desglucodigitonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.52 Ų indicates high polarity, suggesting Desglucodigitonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desglucodigitonin has 15 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desglucodigitonin?
The CAS number of Desglucodigitonin is 73205-29-5.
What is the molecular formula of Desglucodigitonin?
The molecular formula of Desglucodigitonin is C50H82O24.
What is the molecular weight of Desglucodigitonin?
The molecular weight of Desglucodigitonin is 1066.52 g/mol.
Where can I buy Desglucodigitonin?
You can request a quote for Desglucodigitonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desglucodigitonin?
Yes, KEHONG BIO provides custom synthesis services for Desglucodigitonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.