Glycoside
...
GD037198

Name:
None

Formula:
C17H16O5N4

Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cc(-c3ccco3)c3c(N)ncnc32)[C@H]1O

Aglycone:
Nc1ncnc2c1C(c1ccco1)=C[N]2

Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: -0.11 Num_rotatable_bonds: 3
MolWt: 356.34 Num_heavy_atoms: 26
TPSA: 139.79 NumAromaticRings: 3

Unique Aglycone
AD04034
Formula: C10H7ON4

Smiles:
Nc1ncnc2c1C(c1ccco1)=C[N]2
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 1.29 Num_rotatable_bonds: 1
MolWt: 199.19 Num_heavy_atoms: 15
TPSA: 79.04 NumAromaticRings: 2

Sugarmoiety
SD00341

C#CC1(O)C(CO)OC(O)C1O