Glycoside
GD018909
Name:
NoneFormula:
C32H53O13N3Smiles:
CCCCCCCC(=O)NCc1ccc(C=[N+]([O-])C(C)(C)CNC(=O)[C@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)cc1Aglycone:
CCCCCCCC(=O)NCc1ccc(C=[N+]([O-])C(C)(C)C[NH])cc1Sugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 20 |
| MolWt: | 687.78 | Num_heavy_atoms: | 48 |
| TPSA: | 264.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD13256
Formula: C20H32O2N3
Smiles:
CCCCCCCC(=O)NCc1ccc(C=[N+]([O-])C(C)(C)C[NH])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 346.5 | Num_heavy_atoms: | 25 |
| TPSA: | 78.97 | NumAromaticRings: | 1 |
