Glycoside
GD091817
Name:
NoneFormula:
C20H21O6N4ClSmiles:
O=C1c2nc(Cl)nc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2CN1Cc1ccccc1Aglycone:
Nc1nc(Cl)nc2c1CN(Cc1ccccc1)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.85 | Num_heavy_atoms: | 30 |
| TPSA: | 148.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD40039
Formula: C14H11ON4Cl
Smiles:
Nc1nc(Cl)nc2c1CN(Cc1ccccc1)C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.71 | Num_heavy_atoms: | 19 |
| TPSA: | 72.11 | NumAromaticRings: | 2 |
