Glycoside
...
GD100261

Name:
None

Formula:
C21H22O7N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccncc4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncnc2Nc2ccncc2)[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.38
AlogP: 1.29 Num_rotatable_bonds: 7
MolWt: 470.44 Num_heavy_atoms: 34
TPSA: 156.65 NumAromaticRings: 3

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
AD27341
Formula: C10H7N6

Smiles:
C1=Nc2c(ncnc2Nc2ccncc2)[N]1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 1.52 Num_rotatable_bonds: 2
MolWt: 211.21 Num_heavy_atoms: 16
TPSA: 77.16 NumAromaticRings: 2

Sugarmoiety
SD00105

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