Deglucoparillin
TL;DR: Deglucoparillin (CAS 11025-83-5) is a chemical compound with molecular formula C45H74O17 and molecular weight 886.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Deglucoparillin, Desglucoparillin, 2-[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C45H74O17 |
|---|---|
| Molecular Weight | 886.49 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 886.4926 |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 11025-83-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | UBMCTHWOOSUTHL-UHFFFAOYSA-N |
Product Overview
Deglucoparillin (CAS 11025-83-5), with molecular formula C45H74O17 and molecular weight 886.49 g/mol. IUPAC: 2-[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Deglucoparillin
Property Insights of Deglucoparillin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deglucoparillin. The TPSA of 256.0 Ų indicates high polarity, suggesting Deglucoparillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deglucoparillin has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deglucoparillin?
The CAS number of Deglucoparillin is 11025-83-5.
What is the molecular formula of Deglucoparillin?
The molecular formula of Deglucoparillin is C45H74O17.
What is the molecular weight of Deglucoparillin?
The molecular weight of Deglucoparillin is 886.49 g/mol.
Where can I buy Deglucoparillin?
You can request a quote for Deglucoparillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deglucoparillin?
Yes, KEHONG BIO provides custom synthesis services for Deglucoparillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.