Glycoside
...
GD076332

Name:
None

Formula:
C15H17O7N5

Smiles:
C#CCOCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1

Aglycone:
C#CCOCC1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
OCC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.47
AlogP: -3.13 Num_rotatable_bonds: 6
MolWt: 379.33 Num_heavy_atoms: 27
TPSA: 164.72 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD25194
Formula: C6H6ON3

Smiles:
C#CCOCC1=C[N]N=N1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.33
AlogP: 0.46 Num_rotatable_bonds: 3
MolWt: 136.13 Num_heavy_atoms: 10
TPSA: 48.05 NumAromaticRings: 0

Sugarmoiety
SD01068

OCC1(O)OC(O)C(O)C1O