Agavoside E
TL;DR: Agavoside E (CAS 58546-19-3) is a chemical compound with molecular formula C62H100O31 and molecular weight 1340.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[5-[5-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Also Known As: Agavasaponin E, Agavoside E, NCI60_038760, Spirostan-12-one, (3.beta.,5.alpha.,25R)-
| Molecular Formula | C62H100O31 |
|---|---|
| Molecular Weight | 1340.62 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 470.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 15 |
| Exact Mass | 1340.6249 |
| Heavy Atoms | 93 |
| Complexity | 2530.0 |
Chemical Identifiers
| CAS Number | 58546-19-3 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)C)OC2C(C(C(C(O2)C)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)O[C@]11CCC(CO1)C |
| InChIKey | HYUWBRLXQLHDHD-SFECIVCUSA-N |
Product Overview
Agavoside E (CAS 58546-19-3), with molecular formula C62H100O31 and molecular weight 1340.62 g/mol. IUPAC: (1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[5-[5-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one.
Chemical Property Profile of Agavoside E
Property Insights of Agavoside E
The XLogP value of -4.8 indicates that Agavoside E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 470.0 Ų indicates high polarity, suggesting Agavoside E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agavoside E has 16 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agavoside E?
The CAS number of Agavoside E is 58546-19-3.
What is the molecular formula of Agavoside E?
The molecular formula of Agavoside E is C62H100O31.
What is the molecular weight of Agavoside E?
The molecular weight of Agavoside E is 1340.62 g/mol.
Where can I buy Agavoside E?
You can request a quote for Agavoside E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agavoside E?
Yes, KEHONG BIO provides custom synthesis services for Agavoside E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.