Glycoside
...
GD079860

Name:
None

Formula:
C13H18O9N2FClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](N[C@@H](F)Oc2cccc(Cl)n2)[C@H]1O

Aglycone:
COS(O)(O)O.NC(F)Oc1cccc(Cl)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -0.08 Num_rotatable_bonds: 7
MolWt: 420.8 Num_heavy_atoms: 26
TPSA: 173.99 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
AD27714
Formula: C7H6ON2FCl

Smiles:
NC(F)Oc1cccc(Cl)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 176.58 Num_heavy_atoms: 11
TPSA: 48.14 NumAromaticRings: 1

Sugarmoiety
SD00017

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