Glycoside
GD086630
Name:
NoneFormula:
C20H28O6N3F2Smiles:
O=C(C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
FC1(F)CCNCC12CC[NH+](Cc1ccccn1)C2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.46 | Num_heavy_atoms: | 31 |
| TPSA: | 135.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38332
Formula: C14H20N3F2
Smiles:
FC1(F)CCNCC12CC[NH+](Cc1ccccn1)C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.33 | Num_heavy_atoms: | 19 |
| TPSA: | 29.36 | NumAromaticRings: | 1 |
