Glycoside
GD011848
Name:
NoneFormula:
C19H18O4N6FClSmiles:
CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCc2cccc(F)c2)[C@H](O)[C@H]1OAglycone:
CNc1nc(Cl)nc2c1N=C[N]2.O=CNCc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.83 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD01840
Formula: C7H5N5Cl
Smiles:
CNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.59 | Num_heavy_atoms: | 12 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD08993
Formula: C8H8ONF
Smiles:
O=CNCc1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
