Glycoside
GD030595
Name:
NoneFormula:
C19H16O6N3Cl3Smiles:
COC(=O)NN=Cc1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
COC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.68 | Num_heavy_atoms: | 28 |
| TPSA: | 125.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD19796
Formula: C14H8O2N3Cl3
Smiles:
COC(=O)NN=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.56 | Num_heavy_atoms: | 19 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
