Glycoside
...
GD111297

Name:
None

Formula:
C25H20O10N2

Smiles:
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O

Aglycone:
COc1ccc([N+](=O)[O-])cc1N.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 3.08 Num_rotatable_bonds: 10
MolWt: 508.44 Num_heavy_atoms: 37
TPSA: 171.37 NumAromaticRings: 3

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD44632
Formula: C7H8O3N2

Smiles:
COc1ccc([N+](=O)[O-])cc1N
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 78.39 NumAromaticRings: 1

Sugarmoiety
SD00296

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