Glycoside
...
GD077278

Name:
None

Formula:
C16H16O7N4

Smiles:
CC(=O)O[C@H]1CO[C@@H](n2cnc(C#N)c2C#N)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
N#CC1=C(C#N)N=C[N]1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: -0.05 Num_rotatable_bonds: 4
MolWt: 376.33 Num_heavy_atoms: 27
TPSA: 153.53 NumAromaticRings: 1

Unique Aglycone
AD35471
Formula: C5HN4

Smiles:
N#CC1=C(C#N)N=C[N]1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: -0.11 Num_rotatable_bonds: 0
MolWt: 117.09 Num_heavy_atoms: 9
TPSA: 74.04 NumAromaticRings: 0

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O