Glycoside
GD022191
Name:
NoneFormula:
C22H21O5N8ClSmiles:
Nc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.9 | Num_heavy_atoms: | 35 |
| TPSA: | 186.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD15078
Formula: C17H12ON8Cl
Smiles:
Nc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.78 | Num_heavy_atoms: | 26 |
| TPSA: | 125.18 | NumAromaticRings: | 3 |
