Glycoside
...
GD096518

Name:
None

Formula:
C18H20O10N2FClS

Smiles:
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)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.Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 1.14 Num_rotatable_bonds: 6
MolWt: 498.87 Num_heavy_atoms: 32
TPSA: 194.97 NumAromaticRings: 2

Unique Aglycone
AD10018
Formula: C12H8O2N2FCl

Smiles:
Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.54 Num_rotatable_bonds: 2
MolWt: 254.65 Num_heavy_atoms: 17
TPSA: 69.12 NumAromaticRings: 2
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

Sugarmoiety
SD00017

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