Glycoside
GD091160
Name:
NoneFormula:
C17H19O8NCl2SSmiles:
CCS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Cl)c1ClAglycone:
CCS(=O)(=O)c1ccc(C(N)=O)c(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.29 | Num_heavy_atoms: | 27 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD39738
Formula: C11H9O3NCl2S
Smiles:
CCS(=O)(=O)c1ccc(C(N)=O)c(Cl)c1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.15 | Num_heavy_atoms: | 16 |
| TPSA: | 77.23 | NumAromaticRings: | 1 |
