GD005057

Name:

None

Formula:

C44H51O13N6Cl

Smiles:

COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(O[C@H](C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc3ccccc3)C(C=O)NC(C)=O)c2c1

Aglycone:

CCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1.COc1ccc2nc3cc(Cl)ccc3c(NCCC=O)c2c1

Sugarmoiety:

CC(=O)NC(C=O)C(OO)C(O)C(O)COO

Other Identifiers

• CHEMBL1988128

AD04332

Formula: C18H25O5N3

Smiles:

CCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.44
AlogP:	0.39	Num_rotatable_bonds:	10
MolWt:	363.41	Num_heavy_atoms:	26
TPSA:	127.59	NumAromaticRings:	1

AD04333

Formula: C18H15O2N2Cl

Smiles:

COc1ccc2nc3cc(Cl)ccc3c(NCCC=O)c2c1

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.18
AlogP:	4.05	Num_rotatable_bonds:	5
MolWt:	314.77	Num_heavy_atoms:	22
TPSA:	51.22	NumAromaticRings:	3