Glycoside
GD096108
Name:
NoneFormula:
C18H23O8N2ClSSmiles:
CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2o1Aglycone:
CC(C)(C)c1nc2ccc(Cl)c(S(N)(=O)=O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.9 | Num_heavy_atoms: | 29 |
| TPSA: | 162.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD40874
Formula: C12H13O3N2ClS
Smiles:
CC(C)(C)c1nc2ccc(Cl)c(S(N)(=O)=O)c2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.76 | Num_heavy_atoms: | 18 |
| TPSA: | 86.19 | NumAromaticRings: | 2 |
