Glycoside
...
GD018599

Name:
None

Formula:
C26H29O8NF3SI

Smiles:
C=CCOC1C(O)C(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)OC(Oc2ccc(I)cc2)C1OC(=O)C(C)C

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

Sugarmoiety:
C=CCOC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.42
AlogP: 3.89 Num_rotatable_bonds: 11
MolWt: 699.48 Num_heavy_atoms: 40
TPSA: 120.39 NumAromaticRings: 2

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
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
AD03427
Formula: C8H8O2NF3S

Smiles:
CNS(=O)(=O)c1cccc(C(F)(F)F)c1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.61 Num_rotatable_bonds: 2
MolWt: 239.22 Num_heavy_atoms: 15
TPSA: 46.17 NumAromaticRings: 1

Sugarmoiety
SD00592

C=CCOC1C(O)C(O)OC(O)C1O