Glycoside
GD016945
Name:
NoneFormula:
C26H24O4N6Cl2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccccc2OCc2ccc(Cl)cc2Cl)[C@H](O)[C@H]1OAglycone:
CNCc1ccccc1OCc1ccc(Cl)cc1Cl.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.4 | Num_heavy_atoms: | 36 |
| TPSA: | 140.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05017
Formula: C17H15ONCl2
Smiles:
CNCc1ccccc1OCc1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.2 | Num_heavy_atoms: | 19 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
