Glycoside
...
GD024911

Name:
None

Formula:
C20H20O8F3SI

Smiles:
CO[C@@H]1[C@H](O)[C@H](Oc2ccc(I)cc2)O[C@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O

Aglycone:
COS(=O)(=O)c1cccc(C(F)(F)F)c1.Oc1ccc(I)cc1

Sugarmoiety:
COC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.4
AlogP: 2.56 Num_rotatable_bonds: 7
MolWt: 604.34 Num_heavy_atoms: 33
TPSA: 111.52 NumAromaticRings: 2

Unique Aglycone
AD01382
Formula: C6H5OI

Smiles:
Oc1ccc(I)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 220.01 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD02458
Formula: C8H7O3F3S

Smiles:
COS(=O)(=O)c1cccc(C(F)(F)F)c1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.04 Num_rotatable_bonds: 2
MolWt: 240.2 Num_heavy_atoms: 15
TPSA: 43.37 NumAromaticRings: 1

Sugarmoiety
SD01963

COC1C(O)C(O)OC(O)C1O