Glycoside
...
GD097194

Name:
None

Formula:
C16H21O10NFClS

Smiles:
CCOc1c(F)cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Cl

Aglycone:
CCOc1c(F)cc(C(N)=O)cc1Cl.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: 0.57 Num_rotatable_bonds: 7
MolWt: 461.85 Num_heavy_atoms: 29
TPSA: 178.17 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
AD41318
Formula: C10H9O2NFCl

Smiles:
CCOc1c(F)cc(C(N)=O)cc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.98 Num_rotatable_bonds: 3
MolWt: 217.63 Num_heavy_atoms: 14
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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