Glycoside
GD077229
Name:
NoneFormula:
C13H14O8N3F3Smiles:
O=C(O)/C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C(/O)[C@@H](O)[C@H](O)COAglycone:
O=C(O)CNNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]Sugarmoiety:
O=C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 397.26 | Num_heavy_atoms: | 27 |
| TPSA: | 185.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD35468
Formula: C9H8O4N3F3
Smiles:
O=C(O)CNNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.17 | Num_heavy_atoms: | 19 |
| TPSA: | 104.5 | NumAromaticRings: | 1 |
