GD031696

Name:

None

Formula:

C51H81O18N3

Smiles:

CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)CCC(=O)OC6CCN([N+]([O-])=NO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)CCC(=O)OC6CCN([N+]([O-])=NO)CC6)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4062890

AD20400

Formula: C39H61O8N3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)CCC(=O)OC6CCN([N+]([O-])=NO)CC6)C(C)(C)C5CCC43C)C2C1

HBA:	11	RingCount:	6
HBD:	2	FractionCSP3:	0.87
AlogP:	7.84	Num_rotatable_bonds:	7
MolWt:	699.93	Num_heavy_atoms:	50
TPSA:	151.8	NumAromaticRings:	0