Glycoside
GD100401
Name:
NoneFormula:
C23H35O6N2F2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)[NH+]1CC(C(=O)NCCO)C(c2ccc(F)cc2F)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.54 | Num_heavy_atoms: | 33 |
| TPSA: | 112.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD42430
Formula: C17H25O2N2F2
Smiles:
CC(C)(C)[NH+]1CC(C(=O)NCCO)C(c2ccc(F)cc2F)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.4 | Num_heavy_atoms: | 23 |
| TPSA: | 53.77 | NumAromaticRings: | 1 |
