Glycoside
GD020513
Name:
NoneFormula:
C18H15O5N4Cl3Smiles:
NC(=O)NN=Cc1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
NC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.67 | Num_heavy_atoms: | 27 |
| TPSA: | 142.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD14158
Formula: C13H7ON4Cl3
Smiles:
NC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.55 | Num_heavy_atoms: | 18 |
| TPSA: | 83.27 | NumAromaticRings: | 2 |
