Glycoside
...
GD123964

Name:
None

Formula:
C21H22O6N2FClS

Smiles:
O=S(=O)(NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1O)c1ccc(Cl)cc1

Aglycone:
CC(O)=NCc1ccc(F)cc1.CNS(=O)(=O)c1ccc(Cl)cc1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.35
AlogP: 1.79 Num_rotatable_bonds: 8
MolWt: 472.92 Num_heavy_atoms: 31
TPSA: 128.45 NumAromaticRings: 2

Unique Aglycone
AD18767
Formula: C8H8O2NClS

Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.25 Num_rotatable_bonds: 2
MolWt: 205.67 Num_heavy_atoms: 12
TPSA: 46.17 NumAromaticRings: 1
AD45426
Formula: C9H10ONF

Smiles:
CC(O)=NCc1ccc(F)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 2.3 Num_rotatable_bonds: 2
MolWt: 167.18 Num_heavy_atoms: 12
TPSA: 32.59 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O