GD006801

Name:

None

Formula:

C32H37O17N

Smiles:

COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@H](C)[C@@H](OC(C)=O)C[C@@H]12

Aglycone:

COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C.COC(=O)c1cccc([N+](=O)[O-])c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2238090

AD02417

Formula: C13H18O6

Smiles:

COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C

HBA:	6	RingCount:	2
HBD:	1	FractionCSP3:	0.69
AlogP:	0.6	Num_rotatable_bonds:	2
MolWt:	270.28	Num_heavy_atoms:	19
TPSA:	82.06	NumAromaticRings:	0

AD05586

Formula: C8H7O4N

Smiles:

COC(=O)c1cccc([N+](=O)[O-])c1

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