Glycoside
...
GD112105

Name:
None

Formula:
C28H24O18N8

Smiles:
CC(=O)O[C@@H]1[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1OC(C)=O

Aglycone:
CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 26 RingCount: 4
HBD: 2 FractionCSP3: 0.29
AlogP: 3.7 Num_rotatable_bonds: 15
MolWt: 760.54 Num_heavy_atoms: 54
TPSA: 353.96 NumAromaticRings: 3

Unique Aglycone
AD09479
Formula: C6H4O5N2

Smiles:
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 184.11 Num_heavy_atoms: 13
TPSA: 106.51 NumAromaticRings: 1
AD29102
Formula: C6H5O4N3

Smiles:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 2
MolWt: 183.12 Num_heavy_atoms: 13
TPSA: 112.3 NumAromaticRings: 1
AD29103
Formula: C7H7O4N3

Smiles:
CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.54 Num_rotatable_bonds: 3
MolWt: 197.15 Num_heavy_atoms: 14
TPSA: 98.31 NumAromaticRings: 1

Sugarmoiety
SD00013

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