Glycoside
GD035650
Name:
NoneFormula:
C23H20O10NF3SSmiles:
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)C(F)(F)C2Aglycone:
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)(F)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 559.47 | Num_heavy_atoms: | 38 |
| TPSA: | 183.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD22546
Formula: C17H12O4NF3S
Smiles:
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)(F)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 383.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.39 | NumAromaticRings: | 2 |
