Glycoside
GD017469
Name:
NoneFormula:
C18H18O4N7ClSmiles:
Nc1nc(NN=Cc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=Cc2cccc(Cl)c2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.83 | Num_heavy_atoms: | 29 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD12459
Formula: C13H9N7Cl
Smiles:
Nc1nc(NN=Cc2cccc(Cl)c2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.71 | Num_heavy_atoms: | 20 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
