Glycoside
GD097588
Name:
NoneFormula:
C12H14O5N2F3ISmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2nccc(I)c2C(F)(F)F)[C@@H](O)[C@@H]1OAglycone:
Nc1nccc(I)c1C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.15 | Num_heavy_atoms: | 23 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD41535
Formula: C6H4N2F3I
Smiles:
Nc1nccc(I)c1C(F)(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.01 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
