Glycoside
GD024151
Name:
NoneFormula:
C24H28O4N9FSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cnn(-c3ccc(F)cc3)c2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)NCc1cnn(-c2ccc(F)cc2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 557.61 | Num_heavy_atoms: | 39 |
| TPSA: | 192.25 | NumAromaticRings: | 4 |
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 |
AD16155
Formula: C15H19ON4FS
Smiles:
CSCCC(N)C(=O)NCc1cnn(-c2ccc(F)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 322.41 | Num_heavy_atoms: | 22 |
| TPSA: | 72.94 | NumAromaticRings: | 2 |
