Glycoside
GD019112
Name:
NoneFormula:
C23H23O5N8ClSmiles:
CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.93 | Num_heavy_atoms: | 36 |
| TPSA: | 172.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD13384
Formula: C18H14ON8Cl
Smiles:
CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.81 | Num_heavy_atoms: | 27 |
| TPSA: | 111.19 | NumAromaticRings: | 3 |
