GD001217

Name:

None

Formula:

C42H52O8N6

Smiles:

CNC(=O)[C@@H](NC(=O)[C@@H](OCc1ccc(-c2cccnc2)cc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2cccnc2)cc1)C(=O)N[C@@H](C(=O)NC)C(C)C)C(C)C

Aglycone:

CNC(=O)C(N)C(C)C.CNC(=O)C(N)C(C)C.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1

Sugarmoiety:

O=C(O)C(OO)C(O)C(O)C(OO)C(=O)O

Other Identifiers

• CHEMBL123850

AD00511

Formula: C6H14ON2

Smiles:

CNC(=O)C(N)C(C)C

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.83
AlogP:	-0.28	Num_rotatable_bonds:	2
MolWt:	130.19	Num_heavy_atoms:	9
TPSA:	55.12	NumAromaticRings:	0

AD01264

Formula: C12H11N

Smiles:

Cc1ccc(-c2cccnc2)cc1

HBA:	1	RingCount:	2
HBD:	0	FractionCSP3:	0.08
AlogP:	3.06	Num_rotatable_bonds:	1
MolWt:	169.23	Num_heavy_atoms:	13
TPSA:	12.89	NumAromaticRings:	2