Anthemis glycoside A
TL;DR: Anthemis glycoside A (CAS 89354-48-3) is a chemical compound with molecular formula C39H49NO21 and molecular weight 867.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl] 3-[4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate
Also Known As: Anthemis glycoside A, [(3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(S)-cyano-phenyl-methoxy]-3,4,5-trihydroxy-oxan-2-yl]methoxy]-4,5-dihydroxy-oxan-3-yl] 3-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate, [6-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl] 3-[4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate, Benzeneacetonitrile, I+/--[[6-O-[4-O-[1-oxo-3-[4-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-I(2)-D-xylopyranosyl]-I(2)-D-glucopyranosyl]oxy]-, [S-(E)]-
| Molecular Formula | C39H49NO21 |
|---|---|
| Molecular Weight | 867.28 g/mol |
| LogP | -4.56262 |
| Topological Polar Surface Area | 346.46 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 867.2797 |
| Heavy Atoms | 61 |
| Complexity | 1767.471 |
Chemical Identifiers
| CAS Number | 89354-48-3 |
|---|---|
| SMILES | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C=CC(=O)OC4COC(C(C4O)O)OCC5C(C(C(C(O5)OC(C#N)C6=CC=CC=C6)O)O)O)O)O)O)O)O)O |
Product Overview
Anthemis glycoside A (CAS 89354-48-3), with molecular formula C39H49NO21 and molecular weight 867.28 g/mol. IUPAC: [6-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl] 3-[4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate.
Chemical Property Profile of Anthemis glycoside A
Property Insights of Anthemis glycoside A
The XLogP value of -4.56262 indicates that Anthemis glycoside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.46 Ų indicates high polarity, suggesting Anthemis glycoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthemis glycoside A has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthemis glycoside A?
The CAS number of Anthemis glycoside A is 89354-48-3.
What is the molecular formula of Anthemis glycoside A?
The molecular formula of Anthemis glycoside A is C39H49NO21.
What is the molecular weight of Anthemis glycoside A?
The molecular weight of Anthemis glycoside A is 867.28 g/mol.
Where can I buy Anthemis glycoside A?
You can request a quote for Anthemis glycoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthemis glycoside A?
Yes, KEHONG BIO provides custom synthesis services for Anthemis glycoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.