Glycoside
GD091200
Name:
NoneFormula:
C11H12O6N2F3SBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1sc(Br)nc1C(F)(F)FAglycone:
NC(=O)c1sc(Br)nc1C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 437.19 | Num_heavy_atoms: | 24 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD39760
Formula: C5H2ON2F3SBr
Smiles:
NC(=O)c1sc(Br)nc1C(F)(F)F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 275.05 | Num_heavy_atoms: | 13 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
