Glycoside
GD010790
Name:
NoneFormula:
C33H42O13N3F13Smiles:
CC(C)(CNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=Cc1ccc(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:
CC(C)(CNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=Cc1ccc(C[NH])cc1Sugarmoiety:
O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 21 |
| MolWt: | 935.68 | Num_heavy_atoms: | 62 |
| TPSA: | 264.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD08288
Formula: C21H21O2N3F13
Smiles:
CC(C)(CNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=Cc1ccc(C[NH])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 594.39 | Num_heavy_atoms: | 39 |
| TPSA: | 78.97 | NumAromaticRings: | 1 |
