Glycoside
...
GD029219

Name:
None

Formula:
C17H20O6N6

Smiles:
CC(=O)OC1[C@H](OC(C)=O)[C@@H](n2cnc3c(N)ncnc32)O[C@H]1C(=O)NC1CC1

Aglycone:
Nc1ncnc2c1N=C[N]2.O=CNC1CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.53
AlogP: -0.55 Num_rotatable_bonds: 5
MolWt: 404.38 Num_heavy_atoms: 29
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
AD00527
Formula: C4H7ON

Smiles:
O=CNC1CC1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.75
AlogP: -0.11 Num_rotatable_bonds: 2
MolWt: 85.11 Num_heavy_atoms: 6
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00105

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