Glycoside
GD023062
Name:
NoneFormula:
C16H18O7NF13Smiles:
O=C(NCCCO[C@@H]1[C@H](O)C(O)O[C@H](CO)[C@H]1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FAglycone:
O=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 583.29 | Num_heavy_atoms: | 37 |
| TPSA: | 128.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD15555
Formula: C10H8O2NF13
Smiles:
O=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.15 | Num_heavy_atoms: | 26 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
