Glycoside
...
GD111302

Name:
None

Formula:
C26H22O11N2

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc([N+](=O)[O-])c2)c1

Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.Nc1cccc([N+](=O)[O-])c1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.15
AlogP: 3.09 Num_rotatable_bonds: 11
MolWt: 538.47 Num_heavy_atoms: 39
TPSA: 180.6 NumAromaticRings: 3

Unique Aglycone
AD25353
Formula: C6H6O2N2

Smiles:
Nc1cccc([N+](=O)[O-])c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 138.13 Num_heavy_atoms: 10
TPSA: 69.16 NumAromaticRings: 1
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O