Glycoside
GD002083
Name:
NoneFormula:
C23H22O8NF3Smiles:
COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 497.42 | Num_heavy_atoms: | 35 |
| TPSA: | 130.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD02022
Formula: C17H12O3NF3
Smiles:
COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 335.28 | Num_heavy_atoms: | 24 |
| TPSA: | 51.46 | NumAromaticRings: | 3 |
