Scropolioside A
TL;DR: Scropolioside A (CAS 116064-68-7) is a chemical compound with molecular formula C35H44O18 and molecular weight 752.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Scropolioside A, Scopolioside A, J1.163.487G, [(2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate, ((2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-(((1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,9-dioxatricyclo(4.4.0.02,4)dec-7-en-5-yl)oxy)-6-methyloxan-4-yl) (E)-3-(4-methoxyphenyl)prop-2-enoate
| Molecular Formula | C35H44O18 |
|---|---|
| Molecular Weight | 752.25 g/mol |
| LogP | -1.324 |
| Topological Polar Surface Area | 247.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 752.25275 |
| Heavy Atoms | 53 |
| Complexity | 1530.8561 |
Chemical Identifiers
| CAS Number | 116064-68-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C)OC(=O)/C=C/C6=CC=C(C=C6)OC)OC(=O)C |
Product Overview
Scropolioside A (CAS 116064-68-7), with molecular formula C35H44O18 and molecular weight 752.25 g/mol. IUPAC: [(2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Scropolioside A
Property Insights of Scropolioside A
The XLogP value of -1.324 indicates that Scropolioside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.96 Ų indicates high polarity, suggesting Scropolioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scropolioside A has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scropolioside A?
The CAS number of Scropolioside A is 116064-68-7.
What is the molecular formula of Scropolioside A?
The molecular formula of Scropolioside A is C35H44O18.
What is the molecular weight of Scropolioside A?
The molecular weight of Scropolioside A is 752.25 g/mol.
Where can I buy Scropolioside A?
You can request a quote for Scropolioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scropolioside A?
Yes, KEHONG BIO provides custom synthesis services for Scropolioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.