Glycoside
GD026639
Name:
NoneFormula:
C27H29O10N2FSSmiles:
CN([C@@H]1CCc2c(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1Aglycone:
CN(C1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.6 | Num_heavy_atoms: | 41 |
| TPSA: | 175.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD17549
Formula: C21H21O4N2FS
Smiles:
CN(C1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.47 | Num_heavy_atoms: | 29 |
| TPSA: | 79.61 | NumAromaticRings: | 3 |
