Strophanthidin + gulomethylose + glucose
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Cheirotoxin|Bogoroside|Strophanthidin + gulomethylose + glucose|Strophanthidin + gulomethylose + glucose [German]|(3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde|(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclope|(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde|Card-20(22)-enolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.beta.-D-gulopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-
| Molecular Formula | C35H52O15 |
|---|---|
| Molecular Weight | 712.3306 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.3306 |
| Monoisotopic Mass | 712.3306 |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 7044-33-9 |
|---|---|
| SMILES | C[C@@H]1C([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | CAYUJEAJKPLCAV-LPJFSPNFSA-N |
Product Overview
Strophanthidin + gulomethylose + glucose (CAS 7044-33-9), with molecular formula C35H52O15 and molecular weight 712.3306 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.