Glycoside
...
GD026151

Name:
None

Formula:
C18H26O11N4S

Smiles:
COC(=O)CN(Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)S(C)(=O)=O

Aglycone:
COC(=O)CN(CC1=C[N]N=N1)S(C)(=O)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 0 FractionCSP3: 0.67
AlogP: -1.46 Num_rotatable_bonds: 10
MolWt: 506.49 Num_heavy_atoms: 34
TPSA: 182.52 NumAromaticRings: 1

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
AD17260
Formula: C7H11O4N4S

Smiles:
COC(=O)CN(CC1=C[N]N=N1)S(C)(=O)=O
HBA: 8 RingCount: 1
HBD: 0 FractionCSP3: 0.57
AlogP: -0.75 Num_rotatable_bonds: 5
MolWt: 247.26 Num_heavy_atoms: 16
TPSA: 102.5 NumAromaticRings: 0

Sugarmoiety
SD00105

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