GD020063

Name:

None

Formula:

C49H79O12N

Smiles:

C[C@@H]1[C@H](O)[C@H](CO)O[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]6C[C@](C)(CNC7CCCCC7)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(CNC2CCCCC2)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1O

Other Identifiers

• CHEMBL2314418

AD13910

Formula: C36H59O2N

Smiles:

CC1(CNC2CCCCC2)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.92
AlogP:	8.25	Num_rotatable_bonds:	3
MolWt:	537.87	Num_heavy_atoms:	39
TPSA:	49.33	NumAromaticRings:	0