GD016393

Name:

None

Formula:

C35H34O11N5F

Smiles:

COc1ccc2c(c1)c(C=C1C(=O)Nc3ccc(F)cc31)cn2Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1

Aglycone:

COC(C)=O.COc1ccc2c(c1)c(C=C1C(=O)Nc3ccc(F)cc31)cn2CC1=C[N]N=N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3800465

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

AD11809

Formula: C21H15O2N5F

Smiles:

COc1ccc2c(c1)c(C=C1C(=O)Nc3ccc(F)cc31)cn2CC1=C[N]N=N1

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.1
AlogP:	4.11	Num_rotatable_bonds:	4
MolWt:	388.38	Num_heavy_atoms:	29
TPSA:	82.08	NumAromaticRings:	3