Glycoside
...
GD018043

Name:
None

Formula:
C23H22O10NF3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(O)c(-c3ccc(OC(F)(F)F)cc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]ccc(O)c1-c1ccc(OC(F)(F)F)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.39
AlogP: 2.44 Num_rotatable_bonds: 7
MolWt: 529.42 Num_heavy_atoms: 37
TPSA: 139.59 NumAromaticRings: 2

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
AD12797
Formula: C12H8O3NF3

Smiles:
O=c1[nH]ccc(O)c1-c1ccc(OC(F)(F)F)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.65 Num_rotatable_bonds: 2
MolWt: 271.19 Num_heavy_atoms: 19
TPSA: 62.32 NumAromaticRings: 2

Sugarmoiety
SD00105

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