Glycoside
...
GD108101

Name:
None

Formula:
C22H27O11NS

Smiles:
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1

Aglycone:
COC(C)=O.COc1ccc(OC(N)=S)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 1.03 Num_rotatable_bonds: 8
MolWt: 513.52 Num_heavy_atoms: 35
TPSA: 144.92 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
AD44402
Formula: C8H9O2NS

Smiles:
COc1ccc(OC(N)=S)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.32 Num_rotatable_bonds: 2
MolWt: 183.23 Num_heavy_atoms: 12
TPSA: 44.48 NumAromaticRings: 1

Sugarmoiety
SD00012

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