Deacetyltanghinoside
TL;DR: Deacetyltanghinoside (CAS 82145-56-0) is a chemical compound with molecular formula C42H64O19 and molecular weight 872.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-hydroxy-7-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Deacetyltanghinoside, Glutathione amide, 3-[18-hydroxy-7-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one, Card-20(22)-enolide, 7,8-epoxy-3-((O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-, (3beta,5beta,7beta)-, 3-{[Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-6-deoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-7,8-epoxycard-20(22)-enolide
| Molecular Formula | C42H64O19 |
|---|---|
| Molecular Weight | 872.40 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 872.4042 |
| Heavy Atoms | 61 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 82145-56-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)O)OC)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| InChIKey | FCENBMGJWHEEHE-UHFFFAOYSA-N |
Product Overview
Deacetyltanghinoside (CAS 82145-56-0), with molecular formula C42H64O19 and molecular weight 872.40 g/mol. IUPAC: 3-[18-hydroxy-7-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one.
Chemical Property Profile of Deacetyltanghinoside
Property Insights of Deacetyltanghinoside
The XLogP value of -2.5 indicates that Deacetyltanghinoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 286.0 Ų indicates high polarity, suggesting Deacetyltanghinoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetyltanghinoside has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deacetyltanghinoside?
The CAS number of Deacetyltanghinoside is 82145-56-0.
What is the molecular formula of Deacetyltanghinoside?
The molecular formula of Deacetyltanghinoside is C42H64O19.
What is the molecular weight of Deacetyltanghinoside?
The molecular weight of Deacetyltanghinoside is 872.40 g/mol.
Where can I buy Deacetyltanghinoside?
You can request a quote for Deacetyltanghinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetyltanghinoside?
Yes, KEHONG BIO provides custom synthesis services for Deacetyltanghinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.