GD003199

Name:

None

Formula:

C45H58O13N8

Smiles:

CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1

Aglycone:

CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O.OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1964408

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

AD02926

Formula: C29H37O8N7

Smiles:

CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O

HBA:	15	RingCount:	3
HBD:	8	FractionCSP3:	0.41
AlogP:	0.92	Num_rotatable_bonds:	16
MolWt:	611.66	Num_heavy_atoms:	44
TPSA:	238.65	NumAromaticRings:	3