Glycoside
...
GD083057

Name:
None

Formula:
C14H18O9NF3

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

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 2 FractionCSP3: 0.71
AlogP: -0.82 Num_rotatable_bonds: 5
MolWt: 401.29 Num_heavy_atoms: 27
TPSA: 137.46 NumAromaticRings: 0

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
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
SD00013

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