Glycoside
...
GD004168

Name:
None

Formula:
C24H22O9N3F3

Smiles:
COC(=O)c1nc(C#Cc2ccc(C(F)(F)F)cc2)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)n1

Aglycone:
COC(=O)C1=N[N]C(C#Cc2ccc(C(F)(F)F)cc2)=N1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.81 Num_rotatable_bonds: 6
MolWt: 553.45 Num_heavy_atoms: 39
TPSA: 145.14 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
AD03680
Formula: C13H7O2N3F3

Smiles:
COC(=O)C1=N[N]C(C#Cc2ccc(C(F)(F)F)cc2)=N1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.15
AlogP: 1.56 Num_rotatable_bonds: 1
MolWt: 294.21 Num_heavy_atoms: 21
TPSA: 65.12 NumAromaticRings: 1

Sugarmoiety
SD00105

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