Glycoside
...
GD030269

Name:
None

Formula:
C16H19O7N5S

Smiles:
CSc1ncnc2nn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)nc12

Aglycone:
COC(C)=O.CSc1ncnc2c1=N[N]N=2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.56
AlogP: 0.27 Num_rotatable_bonds: 6
MolWt: 425.42 Num_heavy_atoms: 29
TPSA: 144.62 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
AD09292
Formula: C5H4N5S

Smiles:
CSc1ncnc2c1=N[N]N=2
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: -1.11 Num_rotatable_bonds: 1
MolWt: 166.19 Num_heavy_atoms: 11
TPSA: 64.6 NumAromaticRings: 1

Sugarmoiety
SD00105

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