Glycoside
...
GD004104

Name:
None

Formula:
C21H22O10N6S

Smiles:
CC(=O)O[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H]1OC(C)=O

Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 4 FractionCSP3: 0.33
AlogP: -0.43 Num_rotatable_bonds: 8
MolWt: 550.51 Num_heavy_atoms: 38
TPSA: 224.15 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD00564
Formula: C8H9O5NS

Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 0.01 Num_rotatable_bonds: 3
MolWt: 231.23 Num_heavy_atoms: 15
TPSA: 92.7 NumAromaticRings: 1

Sugarmoiety
SD00105

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