Glycoside
...
GD106896

Name:
None

Formula:
C23H26O12N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)C=Cc1cccc([N+](=O)[O-])c1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.43
AlogP: 0.81 Num_rotatable_bonds: 9
MolWt: 522.46 Num_heavy_atoms: 37
TPSA: 186.67 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
AD44241
Formula: C9H8O3N2

Smiles:
NC(=O)C=Cc1cccc([N+](=O)[O-])c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 3
MolWt: 192.17 Num_heavy_atoms: 14
TPSA: 86.23 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O