Glycoside
...
GD103930

Name:
None

Formula:
C21H24O9NF3

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)C(F)(F)F.OCc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.52
AlogP: 1.4 Num_rotatable_bonds: 8
MolWt: 491.42 Num_heavy_atoms: 34
TPSA: 126.46 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
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD01445
Formula: C2H2ONF3

Smiles:
NC(=O)C(F)(F)F
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: 0.03 Num_rotatable_bonds: 0
MolWt: 113.04 Num_heavy_atoms: 7
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD01061

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1O