Glycoside
...
GD028413

Name:
None

Formula:
C22H25O9N5S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN(c3ccc(C#N)cc3)S(C)(=O)=O)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.CS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(C#N)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 0.44 Num_rotatable_bonds: 9
MolWt: 535.54 Num_heavy_atoms: 37
TPSA: 180.01 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
AD09104
Formula: C11H10O2N5S

Smiles:
CS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(C#N)cc1
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.18
AlogP: 1.15 Num_rotatable_bonds: 4
MolWt: 276.3 Num_heavy_atoms: 19
TPSA: 99.99 NumAromaticRings: 1

Sugarmoiety
SD00105

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