Glycoside
...
GD076922

Name:
None

Formula:
C18H23O8N2

Smiles:
CNC(=O)c1ccc[n+]([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1

Aglycone:
CNC(=O)c1ccc[nH+]c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: -0.34 Num_rotatable_bonds: 6
MolWt: 395.39 Num_heavy_atoms: 28
TPSA: 121.11 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
AD12419
Formula: C7H9ON2

Smiles:
CNC(=O)c1ccc[nH+]c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: -0.14 Num_rotatable_bonds: 1
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 43.24 NumAromaticRings: 1

Sugarmoiety
SD00105

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