Glycoside
...
GD025828

Name:
None

Formula:
C21H25O9N3F2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NNc2ccc(F)cc2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NNc1ccc(F)cc1F

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 3 FractionCSP3: 0.48
AlogP: 0.84 Num_rotatable_bonds: 8
MolWt: 533.51 Num_heavy_atoms: 36
TPSA: 150.52 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17090
Formula: C7H7N3F2S

Smiles:
NC(=S)NNc1ccc(F)cc1F
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 203.22 Num_heavy_atoms: 13
TPSA: 50.08 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O