Glucodigitoxigenin
TL;DR: Glucodigitoxigenin (CAS 17059-16-4) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Glucodigitoxigenin, Digitoxigenin glucoside, Digitoxigenin-beta-d-glucoside, Digitoxigenin-D-glucosid [German], AY 22248
| Molecular Formula | C29H44O9 |
|---|---|
| Molecular Weight | 536.30 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2985 |
| Heavy Atoms | 38 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 17059-16-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O |
| InChIKey | CMHWMOGWFZWDMR-ZKFHOKMZSA-N |
Product Overview
Glucodigitoxigenin (CAS 17059-16-4), with molecular formula C29H44O9 and molecular weight 536.30 g/mol. IUPAC: 3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Glucodigitoxigenin
Property Insights of Glucodigitoxigenin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glucodigitoxigenin. The TPSA of 146.0 Ų indicates high polarity, suggesting Glucodigitoxigenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucodigitoxigenin has 5 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 Glucodigitoxigenin?
The CAS number of Glucodigitoxigenin is 17059-16-4.
What is the molecular formula of Glucodigitoxigenin?
The molecular formula of Glucodigitoxigenin is C29H44O9.
What is the molecular weight of Glucodigitoxigenin?
The molecular weight of Glucodigitoxigenin is 536.30 g/mol.
Where can I buy Glucodigitoxigenin?
You can request a quote for Glucodigitoxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucodigitoxigenin?
Yes, KEHONG BIO provides custom synthesis services for Glucodigitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.