Ardipusilloside I
TL;DR: Ardipusilloside I (CAS 153127-34-5) 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.
(2R,4S,5R,10S,13R,14R,18S,20R)-2-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: Ardipusilloside I, Cyclamiretin A rgga, 3-O-(Rhamnopyranosyl-1-2-glucopyranosyl-1-3)(glucopyranosyl-1-2)-arabinopyranosylcyclamiretin A, (2R,4S,5R,10S,13R,14R,18S,20R)-2-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-(1-2)-O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-13,28-epoxy-16-hydroxy-, (3beta,16alpha,20beta)-
| Molecular Formula | C53H86O22 |
|---|---|
| Molecular Weight | 1074.56 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1074.561 |
| Heavy Atoms | 75 |
| Complexity | 2060.0 |
Chemical Identifiers
| CAS Number | 153127-34-5 |
|---|---|
| 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]7CCC89[C@H]1C[C@](CCC1(CO8)[C@@H](C[C@]9([C@@]7(CCC6C5(C)C)C)C)O)(C)C=O)C)O)O)O |
| InChIKey | BKDSZIZBAIJBKZ-RVLZDLSUSA-N |
Product Overview
Ardipusilloside I (CAS 153127-34-5), with molecular formula C53H86O22 and molecular weight 1074.56 g/mol. IUPAC: (2R,4S,5R,10S,13R,14R,18S,20R)-2-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 Ardipusilloside I
Property Insights of Ardipusilloside I
The XLogP value of -0.6 indicates that Ardipusilloside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 343.0 Ų indicates high polarity, suggesting Ardipusilloside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ardipusilloside I 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 Ardipusilloside I?
The CAS number of Ardipusilloside I is 153127-34-5.
What is the molecular formula of Ardipusilloside I?
The molecular formula of Ardipusilloside I is C53H86O22.
What is the molecular weight of Ardipusilloside I?
The molecular weight of Ardipusilloside I is 1074.56 g/mol.
Where can I buy Ardipusilloside I?
You can request a quote for Ardipusilloside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ardipusilloside I?
Yes, KEHONG BIO provides custom synthesis services for Ardipusilloside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.