Glycoside
...
GD103839

Name:
None

Formula:
C21H26O9N4

Smiles:
CCc1nc(C#N)cc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)n1

Aglycone:
CCc1nc(N)cc(C#N)n1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 0.41 Num_rotatable_bonds: 8
MolWt: 478.46 Num_heavy_atoms: 34
TPSA: 176.03 NumAromaticRings: 1

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
AD26728
Formula: C7H8N4

Smiles:
CCc1nc(N)cc(C#N)n1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 0.49 Num_rotatable_bonds: 1
MolWt: 148.17 Num_heavy_atoms: 11
TPSA: 75.59 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O