Glycoside
GD102190
Name:
NoneFormula:
C21H21O5N6ClSmiles:
O=C(Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N[C@@H]1CCc2ccccc21Aglycone:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)NC1CCc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.88 | Num_heavy_atoms: | 32 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD43246
Formula: C16H12ON6Cl
Smiles:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)NC1CCc2ccccc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.76 | Num_heavy_atoms: | 23 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
