Paridiformoside
TL;DR: Paridiformoside (CAS 112468-35-6) is a chemical compound with molecular formula C54H88O23 and molecular weight 1104.57 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-10-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-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-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Also Known As: Paridiformoside, 1-Phenanthreneacetic acid,3,4-dihydro-,ethyl ester, (2R,4S,5R,10S,13R,14R,18S,20R)-2-hydroxy-10-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-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-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde, (3beta,16alpha,20beta)-3-((O-6-Decoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl)oxy)-13,28-epoxy-16-hydroxyoleanan-29-al, 3-((O-6-Decoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl)oxy)-13,28-epoxy-16-hydroxyoleanan-29-al (3beta,16alpha,20beta)-
| Molecular Formula | C54H88O23 |
|---|---|
| Molecular Weight | 1104.57 g/mol |
| LogP | -2.1441 |
| Topological Polar Surface Area | 363.13 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 1104.5717 |
| Heavy Atoms | 77 |
| Complexity | 2105.46 |
Chemical Identifiers
| CAS Number | 112468-35-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[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)CO)O)O)O |
Product Overview
Paridiformoside (CAS 112468-35-6), with molecular formula C54H88O23 and molecular weight 1104.57 g/mol. IUPAC: (2R,4S,5R,10S,13R,14R,18S,20R)-2-hydroxy-10-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-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-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde.
Chemical Property Profile of Paridiformoside
Property Insights of Paridiformoside
The XLogP value of -2.1441 indicates that Paridiformoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.13 Ų indicates high polarity, suggesting Paridiformoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paridiformoside has 13 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Paridiformoside?
The CAS number of Paridiformoside is 112468-35-6.
What is the molecular formula of Paridiformoside?
The molecular formula of Paridiformoside is C54H88O23.
What is the molecular weight of Paridiformoside?
The molecular weight of Paridiformoside is 1104.57 g/mol.
Where can I buy Paridiformoside?
You can request a quote for Paridiformoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paridiformoside?
Yes, KEHONG BIO provides custom synthesis services for Paridiformoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.