Glycoside
...
GD029666

Name:
None

Formula:
C21H27O10NS

Smiles:
CCc1ccc(C(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)s1

Aglycone:
CCc1ccc(C(N)=O)s1.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 1.12 Num_rotatable_bonds: 8
MolWt: 485.51 Num_heavy_atoms: 33
TPSA: 143.53 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
AD12052
Formula: C7H9ONS

Smiles:
CCc1ccc(C(N)=O)s1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 155.22 Num_heavy_atoms: 10
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00012

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