3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
TL;DR: 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide (CAS 468-15-5) is a chemical compound with molecular formula C29H40O10 and molecular weight 548.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Pachomonoside, Pachomonosid [German], Pachygenin, 3-beta-D-glucopyranoside, 3-(hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide, 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C29H40O10 |
|---|---|
| Molecular Weight | 548.26 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.26215 |
| Heavy Atoms | 39 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 468-15-5 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CC=C5C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C=O |
| InChIKey | CFPNJUAQPQFPOD-UHFFFAOYSA-N |
Product Overview
3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide (CAS 468-15-5), with molecular formula C29H40O10 and molecular weight 548.26 g/mol. IUPAC: 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
Property Insights of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
The XLogP value of -0.4 indicates that 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide?
The CAS number of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide is 468-15-5.
What is the molecular formula of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide?
The molecular formula of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide is C29H40O10.
What is the molecular weight of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide?
The molecular weight of 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide is 548.26 g/mol.
Where can I buy 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide?
You can request a quote for 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.