Glycoside
GD081186
Name:
NoneFormula:
C15H22O7N3ClSSmiles:
CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCc1c(N)nc(CS(C)(=O)=O)nc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.86 | Num_heavy_atoms: | 26 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD36609
Formula: C9H12O2N3ClS
Smiles:
CCc1c(N)nc(CS(C)(=O)=O)nc1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.72 | Num_heavy_atoms: | 15 |
| TPSA: | 85.94 | NumAromaticRings: | 1 |
