GD037127

Name:

None

Formula:

C48H57O17N4F2Cl

Smiles:

C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(NC3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2NC1=O

Aglycone:

CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4113271

AD00815

Formula: C30H27O2N4F2Cl

Smiles:

CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.28
AlogP:	6.38	Num_rotatable_bonds:	2
MolWt:	537.01	Num_heavy_atoms:	38
TPSA:	88.32	NumAromaticRings:	3