Glycoside
...
GD086827

Name:
None

Formula:
C14H18O9NF3S

Smiles:
O=C(Cc1cc(F)cc(F)c1F)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)Cc1cc(F)cc(F)c1F

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: -0.27 Num_rotatable_bonds: 6
MolWt: 433.36 Num_heavy_atoms: 28
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
AD30794
Formula: C8H6ONF3

Smiles:
NC(=O)Cc1cc(F)cc(F)c1F
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.13 Num_rotatable_bonds: 2
MolWt: 189.14 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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