Glycoside
...
GD001261

Name:
None

Formula:
C23H24O8N4

Smiles:
COc1cccc(-c2ncnc3c2ncn3[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:
COC(C)=O.COc1cccc(-c2ncnc3c2N=C[N]3)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 1.83 Num_rotatable_bonds: 7
MolWt: 484.47 Num_heavy_atoms: 35
TPSA: 140.96 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
AD01297
Formula: C12H9ON4

Smiles:
COc1cccc(-c2ncnc3c2N=C[N]3)c1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.08
AlogP: 2.06 Num_rotatable_bonds: 2
MolWt: 225.23 Num_heavy_atoms: 17
TPSA: 61.47 NumAromaticRings: 2

Sugarmoiety
SD00105

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