Glycoside
GD070731
Name:
NoneFormula:
C17H15O4N2F3Smiles:
OC[C@@H]1O[C@H](n2c(C(F)(F)F)nc3cc4ccccc4cc32)[C@H](O)[C@@H]1OAglycone:
FC(F)(F)C1=Nc2cc3ccccc3cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.31 | Num_heavy_atoms: | 26 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD33473
Formula: C12H6N2F3
Smiles:
FC(F)(F)C1=Nc2cc3ccccc3cc2[N]1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 235.19 | Num_heavy_atoms: | 17 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
