GD033608

Name:

None

Formula:

C37H45O13N4F

Smiles:

COc1c(N2C[C@@H]3CCCN(C(C)=O)[C@H]3C2)c(F)cc2c(=O)c(C(=O)N[C@@H]3C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cn(C3CC3)c12

Aglycone:

COC(C)=O.COc1c(N2CC3CCCN(C(C)=O)C3C2)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12

Sugarmoiety:

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4777869

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

AD21112

Formula: C23H27O4N4F

Smiles:

COc1c(N2CC3CCCN(C(C)=O)C3C2)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12

HBA:	8	RingCount:	5
HBD:	2	FractionCSP3:	0.52
AlogP:	2.03	Num_rotatable_bonds:	4
MolWt:	442.49	Num_heavy_atoms:	32
TPSA:	97.87	NumAromaticRings:	2