Glycoside
...
GD102398

Name:
None

Formula:
C19H22O9N5F

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)OCCF)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Nc1ncnc2c1N=C[N]2)OCCF

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: 0.67 Num_rotatable_bonds: 8
MolWt: 483.41 Num_heavy_atoms: 34
TPSA: 170.06 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
AD31143
Formula: C8H7O2N5F

Smiles:
O=C(Nc1ncnc2c1N=C[N]2)OCCF
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 0.9 Num_rotatable_bonds: 3
MolWt: 224.17 Num_heavy_atoms: 16
TPSA: 90.57 NumAromaticRings: 1

Sugarmoiety
SD00105

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