Decuroside III
TL;DR: Decuroside III (CAS 96638-81-2) is a chemical compound with molecular formula C26H34O14 and molecular weight 570.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Also Known As: Decuroside III, J2.769.102A, (2R)-2-[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one, (2R)-2-(1-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-1-methyl-ethyl)-2,3-dihydrofuro(3,2-g)chromen-7-one, (2R)-2-(2-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one
| Molecular Formula | C26H34O14 |
|---|---|
| Molecular Weight | 570.19 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.1949 |
| Heavy Atoms | 40 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 96638-81-2 |
|---|---|
| SMILES | CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O |
| InChIKey | FBXYOMVTZDVTHK-LDVHROGYSA-N |
Product Overview
Decuroside III (CAS 96638-81-2), with molecular formula C26H34O14 and molecular weight 570.19 g/mol. IUPAC: (2R)-2-[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.
Chemical Property Profile of Decuroside III
Property Insights of Decuroside III
The XLogP value of -1.8 indicates that Decuroside III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Decuroside III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decuroside III has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decuroside III?
The CAS number of Decuroside III is 96638-81-2.
What is the molecular formula of Decuroside III?
The molecular formula of Decuroside III is C26H34O14.
What is the molecular weight of Decuroside III?
The molecular weight of Decuroside III is 570.19 g/mol.
Where can I buy Decuroside III?
You can request a quote for Decuroside III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decuroside III?
Yes, KEHONG BIO provides custom synthesis services for Decuroside III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.