Glycoside
GD000824
Name:
NoneFormula:
C23H20O10N3F3SSmiles:
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)OC3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 587.49 | Num_heavy_atoms: | 40 |
| TPSA: | 211.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00860
Formula: C17H12O4N3F3S
Smiles:
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.36 | Num_heavy_atoms: | 28 |
| TPSA: | 115.28 | NumAromaticRings: | 3 |
