Digitoxigenin-3-beta-N-L-rhamnosylglycyl ester
[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2,3,4,5-tetrahydroxyhexylideneamino)acetate
Also Known As: Digitoxigenin-3-beta-N-L-rhamnosylglycyl ester|[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2,3,4,5-tetrahydroxyhexylideneamino)acetate|Glycine, N-(6-deoxy-L-mannosyl)-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide
| Molecular Formula | C31H47NO9 |
|---|---|
| Molecular Weight | 577.3251 g/mol |
| LogP | 1.6895 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 577.3251 |
| Monoisotopic Mass | 577.3251 |
| Heavy Atoms | 41 |
| Complexity | 1075.8068 |
Chemical Identifiers
| CAS Number | 81072-29-9 |
|---|---|
| SMILES | CC(C(C(C(C=NCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C)O)O)O)O |
Product Overview
Digitoxigenin-3-beta-N-L-rhamnosylglycyl ester (CAS 81072-29-9), with molecular formula C31H47NO9 and molecular weight 577.3251 g/mol. IUPAC: [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2,3,4,5-tetrahydroxyhexylideneamino)acetate.