Glycoside
GD057846
Name:
NoneFormula:
C14H20O6N2FSmiles:
[NH3+]CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccc(F)cc1Aglycone:
[NH3+]CCNc1ccc(F)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 331.32 | Num_heavy_atoms: | 23 |
| TPSA: | 145.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD29020
Formula: C8H12N2F
Smiles:
[NH3+]CCNc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.2 | Num_heavy_atoms: | 11 |
| TPSA: | 39.67 | NumAromaticRings: | 1 |
