Glycoside
GD077660
Name:
NoneFormula:
C17H24O5N2F3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.38 | Num_heavy_atoms: | 27 |
| TPSA: | 116.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD35543
Formula: C11H14N2F3
Smiles:
Nc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 231.24 | Num_heavy_atoms: | 16 |
| TPSA: | 40.16 | NumAromaticRings: | 1 |
