Glycoside
GD031343
Name:
NoneFormula:
C21H20O5N7FSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNc2c(NCc3ccc(F)cc3)c(=O)c2=O)[C@H](O)[C@H]1OAglycone:
CNc1c(NCc2ccc(F)cc2)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.43 | Num_heavy_atoms: | 34 |
| TPSA: | 177.51 | 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 |
AD20204
Formula: C12H11O2N2F
Smiles:
CNc1c(NCc2ccc(F)cc2)c(=O)c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.23 | Num_heavy_atoms: | 17 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
