Glycoside
GD000847
Name:
NoneFormula:
C19H16O5N3Cl3Smiles:
CC(=O)NN=Cc1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
CC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.68 | Num_heavy_atoms: | 27 |
| TPSA: | 116.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00884
Formula: C14H8ON3Cl3
Smiles:
CC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.56 | Num_heavy_atoms: | 18 |
| TPSA: | 57.25 | NumAromaticRings: | 2 |
