Glycoside
GD015768
Name:
NoneFormula:
C20H20O4N6Cl2Smiles:
COC[C@@H]1O[C@H](n2c(NCc3ccc(Cl)c(Cl)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2Sugarmoiety:
COCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.3 | Num_heavy_atoms: | 30 |
| TPSA: | 140.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD02825
Formula: C14H9N6Cl2
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.15 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
