Glycoside
GD089449
Name:
NoneFormula:
C19H26O6N2F3Smiles:
O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.42 | Num_heavy_atoms: | 30 |
| TPSA: | 131.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD39020
Formula: C13H18N2F3
Smiles:
NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.29 | Num_heavy_atoms: | 18 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
