Glycoside
GD077173
Name:
NoneFormula:
C14H13O8N2F3Smiles:
O=C(OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Aglycone:
COC(=O)c1ccc([N+](=O)[O-])cc1.NC(=O)C(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.26 | Num_heavy_atoms: | 27 |
| TPSA: | 148.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD01445
Formula: C2H2ONF3
Smiles:
NC(=O)C(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.04 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD16164
Formula: C8H7O4N
Smiles:
COC(=O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.15 | Num_heavy_atoms: | 13 |
| TPSA: | 69.44 | NumAromaticRings: | 1 |
