Strophanthidin 6-deoxyglucoside
(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Strophalloside, Deglucocheirotoxin, Convallaotoxin, Desglucocheirotoxin, Cheirotoxin, degluco-, Desglucocheirotoxin [German], Strophanthidin 6-deoxyglucoside, (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde, 3-beta-((6-Deoxy-beta-D-allopyranosyl)oxy)-5-beta,14-dihydroxy-19-oxocard-20(22)-enolide, Card-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-, Card-20(22)-enolide, 3-((6-deoxy-beta-D-gulopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-, 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-beta-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
| Molecular Formula | C29H42O10 |
|---|---|
| Molecular Weight | 550.2778 g/mol |
| LogP | 0.75 |
| Topological Polar Surface Area | 162.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.2778 |
| Heavy Atoms | 39 |
| Complexity | 1047 |
Chemical Identifiers
| CAS Number | 4336-94-1 |
|---|---|
| SMILES | CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O |
Product Overview
Strophanthidin 6-deoxyglucoside (CAS 4336-94-1), with molecular formula C29H42O10 and molecular weight 550.2778 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
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