Glycoside
GD009856
Name:
NoneFormula:
C9H14O4N2F2Smiles:
CC(F)(F)c1nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]1Aglycone:
CC(F)(F)c1ncc[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.22 | Num_heavy_atoms: | 17 |
| TPSA: | 109.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD07691
Formula: C5H6N2F2
Smiles:
CC(F)(F)c1ncc[nH]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.11 | Num_heavy_atoms: | 9 |
| TPSA: | 28.68 | NumAromaticRings: | 1 |
