GD011486

Name:

None

Formula:

C57H86O16N4

Smiles:

COc1cccc(-n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)nn2)c1

Aglycone:

COc1cccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4237629

AD08776

Formula: C40H58O3N4

Smiles:

COc1cccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1

HBA:	7	RingCount:	7
HBD:	2	FractionCSP3:	0.72
AlogP:	8.05	Num_rotatable_bonds:	5
MolWt:	642.93	Num_heavy_atoms:	47
TPSA:	89.27	NumAromaticRings:	2