Glycoside
GD088100
Name:
NoneFormula:
C18H25O8N2FSSmiles:
CN([C@@H]1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1)S(=O)(=O)c1ccc(F)cc1Aglycone:
CN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.47 | Num_heavy_atoms: | 30 |
| TPSA: | 155.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD38584
Formula: C12H17O2N2FS
Smiles:
CN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.34 | Num_heavy_atoms: | 18 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
