Glycoside
...
GD097343

Name:
None

Formula:
C15H20O9NF3S2

Smiles:
CSc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc(C(F)(F)F)c1

Aglycone:
COS(O)(O)O.CSc1cc(C(N)=O)cc(C(F)(F)F)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: 1.12 Num_rotatable_bonds: 6
MolWt: 479.45 Num_heavy_atoms: 30
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
AD41383
Formula: C9H8ONF3S

Smiles:
CSc1cc(C(N)=O)cc(C(F)(F)F)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 2.53 Num_rotatable_bonds: 2
MolWt: 235.23 Num_heavy_atoms: 15
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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