Glycoside
...
GD024188

Name:
None

Formula:
C23H28O9N4

Smiles:
CCc1ccc(Nc2nc(C(=O)OC)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n2)cc1

Aglycone:
CCc1ccc(NC2=N[N]C(C(=O)OC)=N2)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 1.69 Num_rotatable_bonds: 9
MolWt: 504.5 Num_heavy_atoms: 36
TPSA: 157.17 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
AD16168
Formula: C12H13O2N4

Smiles:
CCc1ccc(NC2=N[N]C(C(=O)OC)=N2)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.12 Num_rotatable_bonds: 3
MolWt: 245.26 Num_heavy_atoms: 18
TPSA: 77.15 NumAromaticRings: 1

Sugarmoiety
SD00105

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