GD028603

Name:

None

Formula:

C50H84O33N6

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@@H]3[C@H](CO)O[C@H](N(Cc4cn(CCOCCOCCOCCO)nn4)C(C)=O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O[C@]2(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(=O)NCc1cn(CCOCCOCCOCCO)nn1

Sugarmoiety:

CC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL4571037

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD18674

Formula: C13H24O5N4

Smiles:

CC(=O)NCc1cn(CCOCCOCCOCCO)nn1

HBA:	9	RingCount:	1
HBD:	2	FractionCSP3:	0.77
AlogP:	-1.04	Num_rotatable_bonds:	13
MolWt:	316.36	Num_heavy_atoms:	22
TPSA:	107.73	NumAromaticRings:	1