Glycoside
...
GD082789

Name:
None

Formula:
C18H20O6N6

Smiles:
C#CCN(CC#C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1

Aglycone:
C#CCN(CC#C)CC1=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: 0.44
AlogP: -3.21 Num_rotatable_bonds: 7
MolWt: 416.39 Num_heavy_atoms: 30
TPSA: 158.73 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
AD29308
Formula: C9H9N4

Smiles:
C#CCN(CC#C)CC1=C[N]N=N1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.33
AlogP: 0.38 Num_rotatable_bonds: 4
MolWt: 173.2 Num_heavy_atoms: 13
TPSA: 42.06 NumAromaticRings: 0

Sugarmoiety
SD01068

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