GD037212

Name:

None

Formula:

C55H84O15NBr

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[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)NCc6ccccc6Br)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[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)NCc3ccccc3Br)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4868650

AD23456

Formula: C37H54O2NBr

Smiles:

CC1(C)CCC2(C(=O)NCc3ccccc3Br)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.76
AlogP:	9.23	Num_rotatable_bonds:	3
MolWt:	624.75	Num_heavy_atoms:	41
TPSA:	49.33	NumAromaticRings:	1