Glycoside
GD027357
Name:
NoneFormula:
C11H13O6N2F3SSmiles:
O=C(c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1)C(F)(F)FAglycone:
Nc1ncc(C(=O)C(F)(F)F)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.29 | Num_heavy_atoms: | 23 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD17985
Formula: C5H3ON2F3S
Smiles:
Nc1ncc(C(=O)C(F)(F)F)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.15 | Num_heavy_atoms: | 12 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
