Glucostrospeside
3-[14,16-dihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-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: Glucostrospeside|Digitalum verum|Digitalinum verum|DIGITALIN|Digitalin (glycoside)|Gitoxigenin-glucodigitalosid|EINECS 212-036-6|3-[14,16-dihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|3-[14,16-dihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|Card-20(22)-enolide, 3-[(6-deoxy-4-O-ss-D- glucopyranosyl-3-O-methyl-ss-D-galactopyranosyl )oxy]-14,16-dihydroxy-, (3ss,5ss,16ss)-
| Molecular Formula | C36H56O14 |
|---|---|
| Molecular Weight | 712.367 g/mol |
| LogP | -0.09 |
| Topological Polar Surface Area | 214.06 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.367 |
| Heavy Atoms | 50 |
| Complexity | 1295.1 |
Chemical Identifiers
| CAS Number | 752-61-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O |
Product Overview
Glucostrospeside (CAS 752-61-4), with molecular formula C36H56O14 and molecular weight 712.367 g/mol. IUPAC: 3-[14,16-dihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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