Glycoside
GD021900
Name:
NoneFormula:
C25H30O6NF3Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccc(C(F)(F)F)cc3)c2)OC1(C)CAglycone:
CC(=O)NCCc1ccc(O)cc1-c1ccc(C(F)(F)F)cc1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.51 | Num_heavy_atoms: | 35 |
| TPSA: | 97.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD14902
Formula: C17H16O2NF3
Smiles:
CC(=O)NCCc1ccc(O)cc1-c1ccc(C(F)(F)F)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
