Glycoside
GD001642
Name:
NoneFormula:
C20H22O4N7F3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1ccc(C(F)(F)F)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.44 | Num_heavy_atoms: | 34 |
| TPSA: | 174.43 | NumAromaticRings: | 3 |
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 |
AD01627
Formula: C11H13ON2F3
Smiles:
CNC(=O)C(N)Cc1ccc(C(F)(F)F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.23 | Num_heavy_atoms: | 17 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
