Glycoside
GD006009
Name:
NoneFormula:
C22H22O8NF3Smiles:
O=C(CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1Aglycone:
NCC(=O)Oc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 485.41 | Num_heavy_atoms: | 34 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD05011
Formula: C16H12O3NF3
Smiles:
NCC(=O)Oc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.27 | Num_heavy_atoms: | 23 |
| TPSA: | 69.39 | NumAromaticRings: | 2 |
