GD013913

Name:

None

Formula:

C45H60O12N8

Smiles:

CC(=O)NC1C(OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC2c3ccccc3Nc3cccc([N+](=O)[O-])c32)C(N)=O)C(C)C)C(O)C(CO)OC1(C)OCc1ccccc1

Aglycone:

CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O)C(C)C.OCc1ccccc1

Sugarmoiety:

CC(=O)NC1C(O)C(O)C(CO)OC1(C)O

Other Identifiers

• CHEMBL2004062

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD10314

Formula: C29H39O7N7

Smiles:

CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O)C(C)C

HBA:	14	RingCount:	3
HBD:	8	FractionCSP3:	0.45
AlogP:	1.11	Num_rotatable_bonds:	15
MolWt:	597.67	Num_heavy_atoms:	43
TPSA:	217.82	NumAromaticRings:	2