Glycoside
...
GD108603

Name:
None

Formula:
C25H27O11NS2

Smiles:
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1

Aglycone:
COC(C)=O.COc1ccc(C=C2SC(=S)NC2=O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.44
AlogP: 1.98 Num_rotatable_bonds: 8
MolWt: 581.62 Num_heavy_atoms: 39
TPSA: 143.97 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
AD44455
Formula: C11H9O2NS2

Smiles:
COc1ccc(C=C2SC(=S)NC2=O)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.18 Num_rotatable_bonds: 2
MolWt: 251.33 Num_heavy_atoms: 16
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00012

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