Glycoside
GD019811
Name:
NoneFormula:
C14H15O5N5F2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CC(=O)OC2CC2(F)F)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CC1(F)F.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.3 | Num_heavy_atoms: | 26 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13780
Formula: C5H6O2F2
Smiles:
CC(=O)OC1CC1(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.1 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
