GD036645

Name:

None

Formula:

C32H39O12N4F

Smiles:

CCn1cc(C(=O)N[C@@H]2C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

Aglycone:

CCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4776749

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

AD21140

Formula: C18H21O3N4F

Smiles:

CCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.39
AlogP:	0.93	Num_rotatable_bonds:	3
MolWt:	360.39	Num_heavy_atoms:	26
TPSA:	88.64	NumAromaticRings:	2