Glycoside
...
GD082804

Name:
None

Formula:
C18H21O5N7

Smiles:
C#CCN(CC#C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1

Aglycone:
C#CCN(CC#C)CC1=C[N]N=N1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.44
AlogP: -2.92 Num_rotatable_bonds: 7
MolWt: 415.41 Num_heavy_atoms: 30
TPSA: 164.78 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 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