Glycoside
...
GD104729

Name:
None

Formula:
C21H25O9FS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCc2ccccc2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Fc1ccccc1CS

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 0 FractionCSP3: 0.52
AlogP: 2.14 Num_rotatable_bonds: 8
MolWt: 472.49 Num_heavy_atoms: 32
TPSA: 114.43 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
AD44011
Formula: C7H7FS

Smiles:
Fc1ccccc1CS
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.26 Num_rotatable_bonds: 1
MolWt: 142.2 Num_heavy_atoms: 9
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00012

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