GD033618

Name:

None

Formula:

C33H39O12N4F

Smiles:

CC(=O)OC[C@@H]1OC(OC(C)=O)[C@H](NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(N)=O)cn3C2CC2)CC1.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• CHEMBL4780174

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

AD21444

Formula: C19H21O3N4F

Smiles:

CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(N)=O)cn3C2CC2)CC1

HBA:	7	RingCount:	4
HBD:	2	FractionCSP3:	0.42
AlogP:	1.24	Num_rotatable_bonds:	3
MolWt:	372.4	Num_heavy_atoms:	27
TPSA:	88.64	NumAromaticRings:	2