3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Pachomonoside|Pachomonosid [German]|Pachygenin, 3-beta-D-glucopyranoside|3-(hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide|14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C29H40O10 |
|---|---|
| Molecular Weight | 548.26215 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 162.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.26215 |
| Heavy Atoms | 39 |
| Complexity | 1070.3 |
Chemical Identifiers
| CAS Number | 468-15-5 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CC=C5C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C=O |
Product Overview
3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide (CAS 468-15-5), with molecular formula C29H40O10 and molecular weight 548.26215 g/mol. IUPAC: 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
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