GD001076

Name:

None

Formula:

C32H35O14N3

Smiles:

COc1ccc(NC(=O)Nc2cccc(C=CC(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)c([N+](=O)[O-])c1

Aglycone:

COC(C)=O.COc1ccc(NC(=O)Nc2cccc(C=CC(C)=O)c2)c([N+](=O)[O-])c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3329577

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD01124

Formula: C18H17O5N3

Smiles:

COc1ccc(NC(=O)Nc2cccc(C=CC(C)=O)c2)c([N+](=O)[O-])c1

HBA:	8	RingCount:	2
HBD:	2	FractionCSP3:	0.11
AlogP:	3.85	Num_rotatable_bonds:	6
MolWt:	355.35	Num_heavy_atoms:	26
TPSA:	110.57	NumAromaticRings:	2