Glycoside
...
GD101001

Name:
None

Formula:
C20H25O8N6F

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC(C)C)nc(F)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)NC(=O)Nc1nc(F)nc2c1N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.55
AlogP: 0.82 Num_rotatable_bonds: 7
MolWt: 496.45 Num_heavy_atoms: 35
TPSA: 172.86 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
AD42692
Formula: C9H10ON6F

Smiles:
CC(C)NC(=O)Nc1nc(F)nc2c1N=C[N]2
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.05 Num_rotatable_bonds: 2
MolWt: 237.22 Num_heavy_atoms: 17
TPSA: 93.37 NumAromaticRings: 1

Sugarmoiety
SD00105

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