Glycoside
GD100702
Name:
NoneFormula:
C17H18O7N2F2S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ncc(F)cc1FAglycone:
O=S(=O)(Nc1ccc(S)cc1)c1ncc(F)cc1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 30 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD42520
Formula: C11H8O2N2F2S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1ncc(F)cc1F| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 19 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
