Glycoside
...
GD096901

Name:
None

Formula:
C17H21O9N5S

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

Aglycone:
COC(C)=O.CS(=O)(=O)Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: -0.48 Num_rotatable_bonds: 7
MolWt: 471.45 Num_heavy_atoms: 32
TPSA: 177.9 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
AD27467
Formula: C6H6O2N5S

Smiles:
CS(=O)(=O)Nc1ncnc2c1N=C[N]2
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.17
AlogP: -0.24 Num_rotatable_bonds: 2
MolWt: 212.21 Num_heavy_atoms: 14
TPSA: 98.41 NumAromaticRings: 1

Sugarmoiety
SD00105

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