GD035601

Name:

None

Formula:

C54H90O16N2

Smiles:

C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCN3CCOCC3)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12

Aglycone:

CC1CCC2(C(=O)NCCN3CCOCC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CHEMBL4565295

AD22514

Formula: C36H60O3N2

Smiles:

CC1CCC2(C(=O)NCCN3CCOCC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.92
AlogP:	6.45	Num_rotatable_bonds:	4
MolWt:	568.89	Num_heavy_atoms:	41
TPSA:	61.8	NumAromaticRings:	0