Glycoside
GD017407
Name:
NoneFormula:
C15H16O5N3F3Smiles:
OC[C@@H]1O[C@H](n2cc(-c3cccc(C(F)(F)F)c3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(C2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.3 | Num_heavy_atoms: | 26 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD12421
Formula: C9H5N3F3
Smiles:
FC(F)(F)c1cccc(C2=C[N]N=N2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.15 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
