Glycoside
GD018550
Name:
IOGLUCOLFormula:
C18H24O9N3I3Smiles:
CNC(=O)c1c(I)c(NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c(I)c(N(CCO)C(C)=O)c1IAglycone:
CNC(=O)c1c(I)c(N)c(I)c(N(CCO)C(C)=O)c1ISugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 807.11 | Num_heavy_atoms: | 33 |
| TPSA: | 199.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD13066
Formula: C12H14O3N3I3
Smiles:
CNC(=O)c1c(I)c(N)c(I)c(N(CCO)C(C)=O)c1I| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 628.97 | Num_heavy_atoms: | 21 |
| TPSA: | 95.66 | NumAromaticRings: | 1 |
