Glycoside
GD021505
Name:
NoneFormula:
C21H20O4N7ClSmiles:
CNc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.88 | Num_heavy_atoms: | 32 |
| TPSA: | 143.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD14701
Formula: C16H11N7Cl
Smiles:
CNc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.76 | Num_heavy_atoms: | 23 |
| TPSA: | 82.09 | NumAromaticRings: | 3 |
