Glycoside
GD097688
Name:
NoneFormula:
C12H12O6N2F3ISmiles:
O=C(Nc1ccc(C(F)(F)F)nc1I)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1ccc(C(F)(F)F)nc1ISugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.13 | Num_heavy_atoms: | 24 |
| TPSA: | 139.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD41592
Formula: C6H4N2F3I
Smiles:
Nc1ccc(C(F)(F)F)nc1I| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.01 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
