Glycoside
GD025150
Name:
NoneFormula:
C15H20O4N7FSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H]2C[C@H](F)CN2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C1CC(F)CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.37 | Num_heavy_atoms: | 27 |
| TPSA: | 160.44 | 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 |
AD16709
Formula: C6H11ON2F
Smiles:
CNC(=O)C1CC(F)CN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.16 | Num_heavy_atoms: | 10 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
