Oleoacteoside
TL;DR: Oleoacteoside (CAS 111116-28-0) is a chemical compound with molecular formula C46H58O25 and molecular weight 1010.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Also Known As: Oleoacteoside, Glycyl-arginyl-glycyl-aspartyl-seryl-prolyl-lysine, Methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate, Methyl (5Z,6S)-4-(2-((2R,3R,4S,5R,6R)-2-(2-(3,4-dihydroxyphenyl)ethoxy]-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-6-(hydroxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-2-oxoethyl)-5-ethylidene-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4H-pyran-3-carboxylate
| Molecular Formula | C46H58O25 |
|---|---|
| Molecular Weight | 1010.33 g/mol |
| LogP | -2.2827 |
| Topological Polar Surface Area | 386.27 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 17 |
| Exact Mass | 1010.3267 |
| Heavy Atoms | 71 |
| Complexity | 2247.5842 |
Chemical Identifiers
| CAS Number | 111116-28-0 |
|---|---|
| SMILES | C/C=C/1\[C@@H](OC=C(C1CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C(=O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
Product Overview
Oleoacteoside (CAS 111116-28-0), with molecular formula C46H58O25 and molecular weight 1010.33 g/mol. IUPAC: methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate.
Chemical Property Profile of Oleoacteoside
Property Insights of Oleoacteoside
The XLogP value of -2.2827 indicates that Oleoacteoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.27 Ų indicates high polarity, suggesting Oleoacteoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oleoacteoside has 12 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oleoacteoside?
The CAS number of Oleoacteoside is 111116-28-0.
What is the molecular formula of Oleoacteoside?
The molecular formula of Oleoacteoside is C46H58O25.
What is the molecular weight of Oleoacteoside?
The molecular weight of Oleoacteoside is 1010.33 g/mol.
Where can I buy Oleoacteoside?
You can request a quote for Oleoacteoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oleoacteoside?
Yes, KEHONG BIO provides custom synthesis services for Oleoacteoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.