Glycoside
...
GD001240

Name:
None

Formula:
C18H21O9N2F

Smiles:
CC(=O)Nc1ccn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)c1F

Aglycone:
CC(=O)Nc1cc[nH]c(=O)c1F.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.27 Num_rotatable_bonds: 6
MolWt: 428.37 Num_heavy_atoms: 30
TPSA: 139.23 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
AD01280
Formula: C7H7O2N2F

Smiles:
CC(=O)Nc1cc[nH]c(=O)c1F
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 0.47 Num_rotatable_bonds: 1
MolWt: 170.14 Num_heavy_atoms: 12
TPSA: 61.96 NumAromaticRings: 1

Sugarmoiety
SD00105

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