Glycoside
GD084050
Name:
NoneFormula:
C17H23O6N2F3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCc2ccc(C(F)(F)F)nc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCc1ccc(C(F)(F)F)nc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.37 | Num_heavy_atoms: | 28 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD37513
Formula: C11H13O2N2F3
Smiles:
O=C(CCc1ccc(C(F)(F)F)nc1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.23 | Num_heavy_atoms: | 18 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
