Glycoside
GD070005
Name:
NoneFormula:
C14H13O6N2F3Smiles:
N#Cc1cccc(C(F)(F)F)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
N#Cc1cccc(C(F)(F)F)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.26 | Num_heavy_atoms: | 25 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD33165
Formula: C8H5N2F3
Smiles:
N#Cc1cccc(C(F)(F)F)c1N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.14 | Num_heavy_atoms: | 13 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
