3-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide
14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Altoside|Altosid (German)|3-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide|3-beta-((beta-D-Glucopyranosyl)oxy)-14-hydroxy-19-oxo-bufa-4,20,22-trienolide|BUFA-4,20,22-TRIENOLIDE, 3-beta-((beta-D-GLUCOPYRANOSYL)OXY)-14-HYDROXY-19-OXO-|14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde|14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C30H40O10 |
|---|---|
| Molecular Weight | 560.26215 g/mol |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.26215 |
| Monoisotopic Mass | 560.26215 |
| Heavy Atoms | 40 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 73309-75-8 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)OC6C(C(C(C(O6)CO)O)O)O |
| InChIKey | AVMSZBMWLNNGEP-UHFFFAOYSA-N |
Product Overview
3-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide (CAS 73309-75-8), with molecular formula C30H40O10 and molecular weight 560.26215 g/mol. IUPAC: 14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.