Glycoside
GD021006
Name:
METRIZAMIDEFormula:
C18H22O8N3I3Smiles:
CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c(I)c(N(C)C(C)=O)c1IAglycone:
CC(=O)Nc1c(I)c(C(N)=O)c(I)c(N(C)C(C)=O)c1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 789.1 | Num_heavy_atoms: | 32 |
| TPSA: | 168.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD14416
Formula: C12H12O3N3I3
Smiles:
CC(=O)Nc1c(I)c(C(N)=O)c(I)c(N(C)C(C)=O)c1I| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 626.96 | Num_heavy_atoms: | 21 |
| TPSA: | 92.5 | NumAromaticRings: | 1 |
