Glycoside
...
GD021319

Name:
None

Formula:
C22H26O9N4S

Smiles:
COC(=O)c1nc(Nc2ccc(SC)cc2)nn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)C1=NC(Nc2ccc(SC)cc2)=N[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.45
AlogP: 1.85 Num_rotatable_bonds: 9
MolWt: 522.54 Num_heavy_atoms: 36
TPSA: 157.17 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
AD14596
Formula: C11H11O2N4S

Smiles:
COC(=O)C1=NC(Nc2ccc(SC)cc2)=N[N]1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 1.28 Num_rotatable_bonds: 3
MolWt: 263.3 Num_heavy_atoms: 18
TPSA: 77.15 NumAromaticRings: 1

Sugarmoiety
SD00105

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