Glycoside
GD081648
Name:
NoneFormula:
C16H17O7N2F3Smiles:
O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1ccc2c(c1)CCN2C(=O)C(F)(F)FSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.31 | Num_heavy_atoms: | 28 |
| TPSA: | 147.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD36729
Formula: C10H9ON2F3
Smiles:
Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 230.19 | Num_heavy_atoms: | 16 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
