GD002173

Name:

None

Formula:

C56H83O15N4Br

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NCc6cn(-c7cccc(Br)c7)nn6)CC[C@]45C)C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)NCc3cn(-c4cccc(Br)c4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4247636

AD02103

Formula: C39H55O2N4Br

Smiles:

CC1(C)CCC2(C(=O)NCc3cn(-c4cccc(Br)c4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	6	RingCount:	7
HBD:	2	FractionCSP3:	0.72
AlogP:	8.81	Num_rotatable_bonds:	4
MolWt:	691.8	Num_heavy_atoms:	46
TPSA:	80.04	NumAromaticRings:	2