Glycoside
GD102217
Name:
NoneFormula:
C21H29O8N2FSSmiles:
CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)C1Aglycone:
CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.53 | Num_heavy_atoms: | 33 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43259
Formula: C15H19O3N2FS
Smiles:
CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ccc(S)cc2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.39 | Num_heavy_atoms: | 22 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
