Glycoside
GD009807
Name:
WILFOSIDE K1NFormula:
C58H86O19Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@H](C)O[C@@H](O[C@@H]5CC[C@]6(C)C(=CC[C@]7(O)[C@H]6C[C@H](OC(=O)C=Cc6ccccc6)[C@]6(C)[C@](O)(C(C)=O)CC[C@]76O)C5)C[C@H]4OC)C[C@H]3OC)C[C@@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 1087.31 | Num_heavy_atoms: | 77 |
| TPSA: | 235.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00401
Formula: C30H38O7
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.63 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
