Wilfoside K 1N
[17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (Z)-3-phenylprop-2-enoate
Also Known As: Wilfoside K 1N|Pregn-5-en-20-one, 3-((O-2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-8,14,17-trihydroxy-12-(((2E)-1-oxo-3-phenyl-2-propenyl)oxy)-, (3beta,12beta,14beta,17alpha)-|[17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (Z)-3-phenylprop-2-enoate
| Molecular Formula | C58H86O19 |
|---|---|
| Molecular Weight | 1086.5763 g/mol |
| LogP | 5.2355 |
| Topological Polar Surface Area | 235.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 1086.5763 |
| Monoisotopic Mass | 1086.5763 |
| Heavy Atoms | 77 |
| Complexity | 2266.6938 |
Chemical Identifiers
| CAS Number | 100802-91-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)/C=C\C9=CC=CC=C9)C)C)C)C)OC)O |
Product Overview
Wilfoside K 1N (CAS 100802-91-3), with molecular formula C58H86O19 and molecular weight 1086.5763 g/mol. IUPAC: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (Z)-3-phenylprop-2-enoate.