Glycoside
...
GD114336

Name:
None

Formula:
C15H21O7N7

Smiles:
CC(O)C(N)C(=O)C1(O)C(O)C(CO)OC1(C(=N)O)n1cnc2c(N)ncnc21

Aglycone:
CC(O)C(N)C=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
N=C(O)C1(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 10 FractionCSP3: 0.53
AlogP: -3.64 Num_rotatable_bonds: 6
MolWt: 411.38 Num_heavy_atoms: 29
TPSA: 246.94 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD44996
Formula: C4H9O2N

Smiles:
CC(O)C(N)C=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.75
AlogP: -1.11 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 63.32 NumAromaticRings: 0

Sugarmoiety
SD04344

N=C(O)C1(O)OC(CO)C(O)C1(O)O