Glycoside
GD078593
Name:
NoneFormula:
C14H13O5N2F3Cl2Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)c(Cl)cc2C(F)(F)F)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(Cl)c(Cl)cc1C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.15 | Num_heavy_atoms: | 24 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD36114
Formula: C8H3N2F3Cl2
Smiles:
Nc1nc(Cl)c(Cl)cc1C(F)(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 231.0 | Num_heavy_atoms: | 13 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
