Glycoside
GD084100
Name:
NoneFormula:
C16H15O7N2Cl3Smiles:
O=C(COc1nc(Cl)c(Cl)cc1Cl)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)COc1nc(Cl)c(Cl)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.63 | Num_heavy_atoms: | 25 |
| TPSA: | 141.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD37530
Formula: C10H5O2N2Cl3
Smiles:
NC(=O)COc1nc(Cl)c(Cl)cc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.49 | Num_heavy_atoms: | 14 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
