GD028004

Name:

None

Formula:

C49H77O19N

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]4C(=O)C=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NCC(=O)O)CC[C@]45C)[C@@]3(C)CO)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)NCC(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4160569

AD18340

Formula: C32H49O6N

Smiles:

CC1(C)CCC2(C(=O)NCC(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.84
AlogP:	4.5	Num_rotatable_bonds:	4
MolWt:	543.75	Num_heavy_atoms:	39
TPSA:	123.93	NumAromaticRings:	0