Glycoside
...
GD148297

Name:
[3,4-bis(acetyloxy)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate

Formula:
C16H19O8N5

Smiles:
CC(=O)OCC1OC(n2cnc3c(O)nc(=N)[nH]c32)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.N=c1nc(O)c2c([nH]1)[N]C=N2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.73 Num_rotatable_bonds: 5
MolWt: 409.36 Num_heavy_atoms: 29
TPSA: 178.71 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44903
Formula: C5H4ON5

Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.5 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 99.22 NumAromaticRings: 1

Sugarmoiety
SD00105

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