GD016432

Name:

None

Formula:

C40H54O12N4

Smiles:

CNC(=O)[C@@H](NC(=O)[C@@H](OCc1ccc(C=CC(=O)OC)cc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccc(C=CC(=O)OC)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.COC(=O)C=Cc1ccc(C)cc1.COC(=O)C=Cc1ccc(C)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL127045

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

AD11832

Formula: C11H12O2

Smiles:

COC(=O)C=Cc1ccc(C)cc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.18
AlogP:	2.18	Num_rotatable_bonds:	2
MolWt:	176.21	Num_heavy_atoms:	13
TPSA:	26.3	NumAromaticRings:	1