Glycoside
GD107629
Name:
NoneFormula:
C15H15O7N2F9Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)FAglycone:
O=c1[nH]cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.27 | Num_heavy_atoms: | 33 |
| TPSA: | 134.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD44332
Formula: C10H7O3N2F9
Smiles:
O=c1[nH]cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.16 | Num_heavy_atoms: | 24 |
| TPSA: | 74.95 | NumAromaticRings: | 1 |
