Glycoside
GD091838
Name:
NoneFormula:
C15H15O7N2Cl3SSmiles:
CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1c(N)c(Cl)nc(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.69 | Num_heavy_atoms: | 25 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD40049
Formula: C9H5O2N2Cl3S
Smiles:
CS(=O)(=O)c1c(N)c(Cl)nc(Cl)c1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 275.54 | Num_heavy_atoms: | 14 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
