Glycoside
...
GD091722

Name:
None

Formula:
C19H26O6N4S

Smiles:
CSc1cccc(-c2cn(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)c1

Aglycone:
CSc1cccc(-c2cn(CCO)nn2)c1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.53
AlogP: -0.37 Num_rotatable_bonds: 8
MolWt: 438.51 Num_heavy_atoms: 30
TPSA: 138.96 NumAromaticRings: 2

Unique Aglycone
AD40002
Formula: C11H13ON3S

Smiles:
CSc1cccc(-c2cn(CCO)nn2)c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.27
AlogP: 1.66 Num_rotatable_bonds: 4
MolWt: 235.31 Num_heavy_atoms: 16
TPSA: 50.94 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O