Glycoside
...
GD011067

Name:
None

Formula:
C22H21O7N4F

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(-c4ccc(F)cc4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Fc1ccc(-c2ncnc3c2N=C[N]3)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.36
AlogP: 1.96 Num_rotatable_bonds: 6
MolWt: 472.43 Num_heavy_atoms: 34
TPSA: 131.73 NumAromaticRings: 3

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
AD05183
Formula: C11H6N4F

Smiles:
Fc1ccc(-c2ncnc3c2N=C[N]3)cc1
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 2.19 Num_rotatable_bonds: 1
MolWt: 213.2 Num_heavy_atoms: 16
TPSA: 52.24 NumAromaticRings: 2

Sugarmoiety
SD00105

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