GD011044

Name:

None

Formula:

C34H36O12N4

Smiles:

COc1ccc(C=C2C(=O)N(Cc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)c3ccccc32)cc1OC

Aglycone:

COC(C)=O.COc1ccc(C=C2C(=O)N(CC3=C[N]N=N3)c3ccccc32)cc1OC

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3797496

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD08467

Formula: C20H17O3N4

Smiles:

COc1ccc(C=C2C(=O)N(CC3=C[N]N=N3)c3ccccc32)cc1OC

HBA:	7	RingCount:	4
HBD:	0	FractionCSP3:	0.15
AlogP:	3.42	Num_rotatable_bonds:	5
MolWt:	361.38	Num_heavy_atoms:	27
TPSA:	77.59	NumAromaticRings:	2