Glycoside
GD085068
Name:
NoneFormula:
C12H11O6N2F7Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C(F)(F)C(F)(F)C(F)(F)FAglycone:
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.21 | Num_heavy_atoms: | 27 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD38078
Formula: C7H3O2N2F7
Smiles:
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.1 | Num_heavy_atoms: | 18 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
