Glycoside
...
GD089062

Name:
None

Formula:
C22H24O6N4

Smiles:
C#Cc1cc(C#C)cc(-c2cn(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)c1

Aglycone:
C#Cc1cc(C#C)cc(-c2cn(CCO)nn2)c1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.41
AlogP: -1.13 Num_rotatable_bonds: 7
MolWt: 440.46 Num_heavy_atoms: 32
TPSA: 138.96 NumAromaticRings: 2

Unique Aglycone
AD35228
Formula: C14H11ON3

Smiles:
C#Cc1cc(C#C)cc(-c2cn(CCO)nn2)c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 0.9 Num_rotatable_bonds: 3
MolWt: 237.26 Num_heavy_atoms: 18
TPSA: 50.94 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O