GD025517

Name:

None

Formula:

C51H82O18N4

Smiles:

CC1(C)CC[C@@]2(C(=O)NCc3cn([C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2386661

AD06745

Formula: C33H51O3N4

Smiles:

CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	7	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	6.06	Num_rotatable_bonds:	3
MolWt:	551.8	Num_heavy_atoms:	40
TPSA:	108.38	NumAromaticRings:	0