Glycoside
...
GD013624

Name:
None

Formula:
C17H20O7N4S

Smiles:
CSc1ncnc2c1cnn2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.CSc1ncnc2c1C=N[N]2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.53
AlogP: 0.87 Num_rotatable_bonds: 6
MolWt: 424.44 Num_heavy_atoms: 29
TPSA: 131.73 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
AD05940
Formula: C6H5N4S

Smiles:
CSc1ncnc2c1C=N[N]2
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.17
AlogP: 0.78 Num_rotatable_bonds: 1
MolWt: 165.2 Num_heavy_atoms: 11
TPSA: 52.24 NumAromaticRings: 1

Sugarmoiety
SD00105

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