Glycoside
...
GD089671

Name:
None

Formula:
C16H21O9NFClS

Smiles:
Cc1ccc(Cl)c(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1F

Aglycone:
COS(O)(O)O.Cc1ccc(Cl)c(CC(N)=O)c1F

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: 0.41 Num_rotatable_bonds: 6
MolWt: 445.85 Num_heavy_atoms: 28
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
AD32618
Formula: C10H9ONFCl

Smiles:
Cc1ccc(Cl)c(CC(N)=O)c1F
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.82 Num_rotatable_bonds: 2
MolWt: 201.63 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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