GD033414

Name:

None

Formula:

C59H86O21N2S

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]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)OCC=CCOc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)CC[C@]45C)C3(C)C)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)OCC=CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3893202

AD21323

Formula: C42H58O8N2S

Smiles:

CC1(C)CCC2(C(=O)OCC=CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	10	RingCount:	7
HBD:	1	FractionCSP3:	0.69
AlogP:	7.78	Num_rotatable_bonds:	8
MolWt:	751.0	Num_heavy_atoms:	53
TPSA:	142.87	NumAromaticRings:	2