Glycoside
...
GD107441

Name:
None

Formula:
C20H24O13N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](NNc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.5 Num_rotatable_bonds: 10
MolWt: 528.43 Num_heavy_atoms: 37
TPSA: 224.77 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
AD44314
Formula: C6H6O4N4

Smiles:
NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.79 Num_rotatable_bonds: 3
MolWt: 198.14 Num_heavy_atoms: 14
TPSA: 124.33 NumAromaticRings: 1

Sugarmoiety
SD04074

CC(=O)OC1OC(O)C(OC(C)=O)C(O)C1OC(C)=O