Glycoside
GD025333
Name:
NoneFormula:
C24H23O5N5Cl2Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cc(Cl)ccc3OCc3ccc(Cl)cc3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.36 | Num_heavy_atoms: | 34 |
| TPSA: | 144.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD16811
Formula: C17H15ONCl2
Smiles:
CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1| 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 |
