Glycoside
GD085190
Name:
NoneFormula:
C18H18O6N2Cl2Smiles:
N#C[C@H](CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1c(Cl)cccc1ClAglycone:
N#CC(CC(N)=O)c1c(Cl)cccc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.23 | Num_heavy_atoms: | 26 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD38106
Formula: C12H8ON2Cl2
Smiles:
N#CC(CC(N)=O)c1c(Cl)cccc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.09 | Num_heavy_atoms: | 15 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
