Glycoside
...
GD096941

Name:
None

Formula:
C17H24O9NF3S

Smiles:
CC(C)(C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1C(F)(F)F

Aglycone:
CC(C)(C(N)=O)c1ccccc1C(F)(F)F.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.59
AlogP: 1.06 Num_rotatable_bonds: 6
MolWt: 475.44 Num_heavy_atoms: 31
TPSA: 168.94 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD41207
Formula: C11H12ONF3

Smiles:
CC(C)(C(N)=O)c1ccccc1C(F)(F)F
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 2.47 Num_rotatable_bonds: 2
MolWt: 231.22 Num_heavy_atoms: 16
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O