Glycoside
GD081175
Name:
NoneFormula:
C17H21O7N3FClSmiles:
O=C(c1cc(F)c(Cl)nc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)N1CCOCC1Aglycone:
Nc1nc(Cl)c(F)cc1C(=O)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.81 | Num_heavy_atoms: | 28 |
| TPSA: | 144.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36605
Formula: C11H11O2N3FCl
Smiles:
Nc1nc(Cl)c(F)cc1C(=O)N1CCOCC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.67 | Num_heavy_atoms: | 17 |
| TPSA: | 68.45 | NumAromaticRings: | 1 |
