Glycoside
GD086067
Name:
NoneFormula:
C21H25O4N2F2Smiles:
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1Aglycone:
CC(=O)NCc1ccc(F)cc1.C[NH2+]Cc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.44 | Num_heavy_atoms: | 29 |
| TPSA: | 95.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD22745
Formula: C9H10ONF
Smiles:
CC(=O)NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD30287
Formula: C8H11NF
Smiles:
C[NH2+]Cc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.18 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
