Oleoechinacoside
TL;DR: Oleoechinacoside (CAS 122960-94-5) is a chemical compound with molecular formula C52H68O30 and molecular weight 1172.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-4-[2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Also Known As: Oleoechinacoside, 2',3'-Dideoxy-2-iodoadenosine, beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-((2E)-3-(3,4-dihydroxyphenyl)-2-propenoate) 2-((2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate), methyl (5E)-4-[2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
| Molecular Formula | C52H68O30 |
|---|---|
| Molecular Weight | 1172.38 g/mol |
| LogP | -4.4585 |
| Topological Polar Surface Area | 465.42 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Exact Mass | 1172.3795 |
| Heavy Atoms | 82 |
| Complexity | 2573.4463 |
Chemical Identifiers
| CAS Number | 122960-94-5 |
|---|---|
| SMILES | C/C=C/1\C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OC3C(C(C(OC3OCCC4=CC(=C(C=C4)O)O)COC5C(C(C(C(O5)CO)O)O)O)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)OC7C(C(C(C(O7)C)O)O)O |
Product Overview
Oleoechinacoside (CAS 122960-94-5), with molecular formula C52H68O30 and molecular weight 1172.38 g/mol. IUPAC: methyl (5E)-4-[2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate.
Chemical Property Profile of Oleoechinacoside
Property Insights of Oleoechinacoside
The XLogP value of -4.4585 indicates that Oleoechinacoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 465.42 Ų indicates high polarity, suggesting Oleoechinacoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oleoechinacoside has 15 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oleoechinacoside?
The CAS number of Oleoechinacoside is 122960-94-5.
What is the molecular formula of Oleoechinacoside?
The molecular formula of Oleoechinacoside is C52H68O30.
What is the molecular weight of Oleoechinacoside?
The molecular weight of Oleoechinacoside is 1172.38 g/mol.
Where can I buy Oleoechinacoside?
You can request a quote for Oleoechinacoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oleoechinacoside?
Yes, KEHONG BIO provides custom synthesis services for Oleoechinacoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.