Glycoside
GD095133
Name:
NoneFormula:
C12H13O7N3ClISmiles:
Cn1nc(Cl)c(I)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1=OAglycone:
Cn1nc(Cl)c(I)c(N)c1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.6 | Num_heavy_atoms: | 23 |
| TPSA: | 161.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD40625
Formula: C6H5ON3ClI
Smiles:
Cn1nc(Cl)c(I)c(N)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 285.47 | Num_heavy_atoms: | 11 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
