Glycoside
...
GD097216

Name:
None

Formula:
C13H16O9NF2SBr

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(F)c(F)c1Br

Aglycone:
COS(O)(O)O.NC(=O)c1ccc(F)c(F)c1Br

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.46
AlogP: 0.42 Num_rotatable_bonds: 5
MolWt: 480.24 Num_heavy_atoms: 27
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
AD41330
Formula: C7H4ONF2Br

Smiles:
NC(=O)c1ccc(F)c(F)c1Br
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 236.01 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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