Ardicrenin
TL;DR: Ardicrenin (CAS 143016-77-7) is a chemical compound with molecular formula C53H86O22 and molecular weight 1074.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R,10S,13R,14R,20S,22S)-22-hydroxy-4,5,9,9,13,20-hexamethyl-10-[(2S,3R,4S,5S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Also Known As: Ardicrenin, Cyclamiretin A-3-O-(alpha-L-rhamnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-4))(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranoside, (4S,5R,10S,13R,14R,20S,22S)-22-hydroxy-4,5,9,9,13,20-hexamethyl-10-[(2S,3R,4S,5S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde, Oleanan-29-al, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-13,28-epoxy-22-hydroxy-, (3beta,20beta,22alpha)-, (4S,5R,10S,13R,14R,20S,22S)-22-hydroxy-4,5,9,9,13,20-hexamethyl-10-((2S,3R,4S,5S)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosane-20-carbaldehyde
| Molecular Formula | C53H86O22 |
|---|---|
| Molecular Weight | 1074.56 g/mol |
| LogP | -1.505 |
| Topological Polar Surface Area | 342.9 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1074.561 |
| Heavy Atoms | 75 |
| Complexity | 2051.6733 |
Chemical Identifiers
| CAS Number | 143016-77-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CCC89C1C[C@](C[C@@H](C1(CC[C@]8([C@@]7(CCC6C5(C)C)C)C)CO9)O)(C)C=O)C)O)O)O |
Product Overview
Ardicrenin (CAS 143016-77-7), with molecular formula C53H86O22 and molecular weight 1074.56 g/mol. IUPAC: (4S,5R,10S,13R,14R,20S,22S)-22-hydroxy-4,5,9,9,13,20-hexamethyl-10-[(2S,3R,4S,5S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde.
Chemical Property Profile of Ardicrenin
Property Insights of Ardicrenin
The XLogP value of -1.505 indicates that Ardicrenin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 342.9 Ų indicates high polarity, suggesting Ardicrenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ardicrenin has 12 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 Ardicrenin?
The CAS number of Ardicrenin is 143016-77-7.
What is the molecular formula of Ardicrenin?
The molecular formula of Ardicrenin is C53H86O22.
What is the molecular weight of Ardicrenin?
The molecular weight of Ardicrenin is 1074.56 g/mol.
Where can I buy Ardicrenin?
You can request a quote for Ardicrenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ardicrenin?
Yes, KEHONG BIO provides custom synthesis services for Ardicrenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.