Glycoside
...
GD103568

Name:
None

Formula:
C20H24O11N2

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.63 Num_rotatable_bonds: 8
MolWt: 468.42 Num_heavy_atoms: 33
TPSA: 169.6 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
AD00091
Formula: C6H5O3N

Smiles:
O=[N+]([O-])c1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.3 Num_rotatable_bonds: 1
MolWt: 139.11 Num_heavy_atoms: 10
TPSA: 63.37 NumAromaticRings: 1

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O