Glycoside
...
GD116222

Name:
None

Formula:
C20H25O12N

Smiles:
CC(=O)OCC1OC(Oc2ccc([NH+]([O-])O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.[O-][NH+](O)c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: -0.45 Num_rotatable_bonds: 8
MolWt: 471.42 Num_heavy_atoms: 33
TPSA: 171.39 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
AD46114
Formula: C6H7O3N

Smiles:
[O-][NH+](O)c1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.2 Num_rotatable_bonds: 1
MolWt: 141.13 Num_heavy_atoms: 10
TPSA: 67.96 NumAromaticRings: 1

Sugarmoiety
SD00012

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