Erycorchoside
5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]propoxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Erycorchoside|3-{3-[3-(hexopyranosyloxy)-2-oxopropoxy]propoxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide|5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]propoxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C35H52O14 |
|---|---|
| Molecular Weight | 696.3357 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 696.3357 |
| Monoisotopic Mass | 696.3357 |
| Heavy Atoms | 49 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 35964-48-8 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OCCCOCC(=O)COC6C(C(C(C(O6)CO)O)O)O)C=O)O |
| InChIKey | WMNSAMZNLDKVOZ-UHFFFAOYSA-N |
Product Overview
Erycorchoside (CAS 35964-48-8), with molecular formula C35H52O14 and molecular weight 696.3357 g/mol. IUPAC: 5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]propoxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
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