GD025296

Name:

None

Formula:

C40H67O27N5

Smiles:

CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](OCCCCCCN=[N+]=[N-])[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@]1(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1

Aglycone:

CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C(O)C(O)CO.[N-]=[N+]=NCCCCCCO

Sugarmoiety:

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

Other Identifiers

• CHEMBL4552690

AD05617

Formula: C6H13ON3

Smiles:

[N-]=[N+]=NCCCCCCO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.85	Num_rotatable_bonds:	6
MolWt:	143.19	Num_heavy_atoms:	10
TPSA:	68.99	NumAromaticRings:	0

AD16790

Formula: C22H36O17N2

Smiles:

CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C(O)C(O)CO

HBA:	19	RingCount:	2
HBD:	12	FractionCSP3:	0.82
AlogP:	-6.7	Num_rotatable_bonds:	12
MolWt:	600.53	Num_heavy_atoms:	41
TPSA:	322.33	NumAromaticRings:	0