Deglucohyrcanoside
TL;DR: Deglucohyrcanoside (CAS 17331-90-7) is a chemical compound with molecular formula C28H38O9 and molecular weight 518.25 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-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Deglucohyrcanoside, 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde, 14-hydroxy-19-oxo-3-(pentopyranosyloxy)carda-4,20(22)-dienolide, (3beta)-14-Hydroxy-19-oxo-3-(beta-D-xylopyranosyloxy)card-20(22)-enolide
| Molecular Formula | C28H38O9 |
|---|---|
| Molecular Weight | 518.25 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.2516 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 17331-90-7 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)O)O)O |
| InChIKey | ZQVQSPBMCILIHV-UHFFFAOYSA-N |
Product Overview
Deglucohyrcanoside (CAS 17331-90-7), with molecular formula C28H38O9 and molecular weight 518.25 g/mol. IUPAC: 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Deglucohyrcanoside
Property Insights of Deglucohyrcanoside
The XLogP value of -0.5 indicates that Deglucohyrcanoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Deglucohyrcanoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deglucohyrcanoside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deglucohyrcanoside?
The CAS number of Deglucohyrcanoside is 17331-90-7.
What is the molecular formula of Deglucohyrcanoside?
The molecular formula of Deglucohyrcanoside is C28H38O9.
What is the molecular weight of Deglucohyrcanoside?
The molecular weight of Deglucohyrcanoside is 518.25 g/mol.
Where can I buy Deglucohyrcanoside?
You can request a quote for Deglucohyrcanoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deglucohyrcanoside?
Yes, KEHONG BIO provides custom synthesis services for Deglucohyrcanoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.