Glycoside
...
GD107736

Name:
None

Formula:
C20H19O9N5S

Smiles:
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(NC=O)ncnc43)[C@@H](OC=O)[C@@H]2OC=O)cc1

Aglycone:
COS(=O)(=O)c1ccc(C)cc1.O=CNc1ncnc2c1N=C[N]2

Sugarmoiety:
O=COC1C(O)OC(O)C1OC=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.3
AlogP: 0.09 Num_rotatable_bonds: 11
MolWt: 505.47 Num_heavy_atoms: 35
TPSA: 177.9 NumAromaticRings: 3

Unique Aglycone
AD01798
Formula: C8H10O3S

Smiles:
COS(=O)(=O)c1ccc(C)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 186.23 Num_heavy_atoms: 12
TPSA: 43.37 NumAromaticRings: 1
AD44338
Formula: C6H4ON5

Smiles:
O=CNc1ncnc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: -0.05 Num_rotatable_bonds: 2
MolWt: 162.13 Num_heavy_atoms: 12
TPSA: 81.34 NumAromaticRings: 1

Sugarmoiety
SD04219

O=COC1C(O)OC(O)C1OC=O