Glycoside
...
GD096734

Name:
None

Formula:
C16H21O8N2F2ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](NC(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]1O

Aglycone:
COS(O)(O)O.NC(F)(F)c1cnc(Cl)c(C2CC2)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 1.21 Num_rotatable_bonds: 7
MolWt: 462.86 Num_heavy_atoms: 29
TPSA: 164.76 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
AD41135
Formula: C10H9N2F2Cl

Smiles:
NC(F)(F)c1cnc(Cl)c(C2CC2)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 2.62 Num_rotatable_bonds: 2
MolWt: 218.63 Num_heavy_atoms: 14
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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