Glycoside
...
GD139470

Name:
Glucoaubrietin

Formula:
C15H21O10NS2

Smiles:
COc1ccc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)cc1

Aglycone:
COc1ccc(CC(S)=NOS(=O)(=O)O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.53
AlogP: -1.1 Num_rotatable_bonds: 7
MolWt: 439.46 Num_heavy_atoms: 28
TPSA: 175.34 NumAromaticRings: 1

Unique Aglycone
AD56238
Formula: C9H11O5NS2

Smiles:
COc1ccc(CC(S)=NOS(=O)(=O)O)cc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.3 Num_rotatable_bonds: 5
MolWt: 277.32 Num_heavy_atoms: 17
TPSA: 85.19 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O