Glycoside
...
GD104042

Name:
None

Formula:
C19H19O8N4F3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2nnc3c(NC(=O)C(F)(F)F)cccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Nc1cccc2c1N=N[N]2)C(F)(F)F

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.47
AlogP: 1.26 Num_rotatable_bonds: 6
MolWt: 488.38 Num_heavy_atoms: 34
TPSA: 147.94 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
AD43947
Formula: C8H4ON4F3

Smiles:
O=C(Nc1cccc2c1N=N[N]2)C(F)(F)F
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.12
AlogP: 2.44 Num_rotatable_bonds: 1
MolWt: 229.14 Num_heavy_atoms: 16
TPSA: 67.92 NumAromaticRings: 1

Sugarmoiety
SD00105

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