Glycoside
...
GD112938

Name:
None

Formula:
C34H24O17N4

Smiles:
O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

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

Sugarmoiety:
OC1CC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 0 FractionCSP3: 0.18
AlogP: 4.9 Num_rotatable_bonds: 13
MolWt: 760.58 Num_heavy_atoms: 55
TPSA: 286.99 NumAromaticRings: 4

Unique Aglycone
AD04460
Formula: C7H5O4N

Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.29 Num_rotatable_bonds: 2
MolWt: 167.12 Num_heavy_atoms: 12
TPSA: 80.44 NumAromaticRings: 1
AD16164
Formula: C8H7O4N

Smiles:
COC(=O)c1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.38 Num_rotatable_bonds: 2
MolWt: 181.15 Num_heavy_atoms: 13
TPSA: 69.44 NumAromaticRings: 1

Sugarmoiety
SD00402

OC1CC(O)C(O)C(O)O1