Glycoside
...
GD025162

Name:
None

Formula:
C25H27O10F3

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccc(C(F)(F)F)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1ccc(C(F)(F)F)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.48
AlogP: 2.8 Num_rotatable_bonds: 9
MolWt: 544.48 Num_heavy_atoms: 38
TPSA: 131.5 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD16715
Formula: C11H9OF3

Smiles:
CC(=O)C=Cc1ccc(C(F)(F)F)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.18
AlogP: 3.31 Num_rotatable_bonds: 2
MolWt: 214.19 Num_heavy_atoms: 15
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O