Glycoside
GD001701
Name:
NoneFormula:
C28H33O6N4ClSmiles:
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)NN[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)NN)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.04 | Num_heavy_atoms: | 38 |
| TPSA: | 149.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD01678
Formula: C22H23ON4Cl
Smiles:
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)NN)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.9 | Num_heavy_atoms: | 27 |
| TPSA: | 72.94 | NumAromaticRings: | 3 |
