GD026445

Name:

None

Formula:

C34H33O14N3

Smiles:

CCCC(=O)c1ccc2c(c1)C(=C1C(=O)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3cc([N+](=O)[O-])ccc31)C(=O)N2

Aglycone:

CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3cc([N+](=O)[O-])ccc31)C(=O)N2.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL451641

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

AD17431

Formula: C20H15O5N3

Smiles:

CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3cc([N+](=O)[O-])ccc31)C(=O)N2

HBA:	8	RingCount:	4
HBD:	2	FractionCSP3:	0.15
AlogP:	3.39	Num_rotatable_bonds:	4
MolWt:	377.36	Num_heavy_atoms:	28
TPSA:	118.41	NumAromaticRings:	2