Glycoside
GD031653
Name:
NoneFormula:
C20H20O4N6Cl2Smiles:
Nc1nc(NCCc2ccc(Cl)cc2Cl)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(NCCc3ccc(Cl)cc3Cl)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.3 | Num_heavy_atoms: | 30 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD20370
Formula: C15H11N6Cl2
Smiles:
Nc1nc2c(c(NCCc3ccc(Cl)cc3Cl)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.18 | Num_heavy_atoms: | 21 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
