Glycoside
...
GD107436

Name:
None

Formula:
C22H26O13N2

Smiles:
COC(=O)CO[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)CO.COC(C)=O.NC(=O)c1cccc([N+](=O)[O-])c1

Sugarmoiety:
CC(=O)OCC1OOC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.03 Num_rotatable_bonds: 10
MolWt: 526.45 Num_heavy_atoms: 37
TPSA: 195.9 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
AD06931
Formula: C7H6O3N2

Smiles:
NC(=O)c1cccc([N+](=O)[O-])c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.69 Num_rotatable_bonds: 2
MolWt: 166.14 Num_heavy_atoms: 12
TPSA: 86.23 NumAromaticRings: 1
AD09952
Formula: C3H6O3

Smiles:
COC(=O)CO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.85 Num_rotatable_bonds: 1
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD04113

CC(=O)OCC1OOC(O)C(O)C1OC(C)=O