Glycoside
...
GD020440

Name:
None

Formula:
C16H20O6N6

Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)C1OC(C)=O

Aglycone:
CCNC=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.69 Num_rotatable_bonds: 5
MolWt: 392.37 Num_heavy_atoms: 28
TPSA: 160.55 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
AD00170
Formula: C3H7ON

Smiles:
CCNC=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 2
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O