GD007713

Name:

None

Formula:

C54H100O17N18

Smiles:

N=C(N)NCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCCNC(=N)N)[C@@H](OC(=O)CCCCCNC(=N)N)[C@H](O[C@H]2O[C@@H](CO)[C@@H](OC(=O)CCCCCNC(=N)N)[C@@H](OC(=O)CCCCCNC(=N)N)[C@@H]2OC(=O)CCCCCNC(=N)N)O[C@@H]1CO

Aglycone:

N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O

Sugarmoiety:

OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3220018
• CHEMBL3301757

AD03887

Formula: C7H15O2N3

Smiles:

N=C(N)NCCCCCC(=O)O

HBA:	5	RingCount:	0
HBD:	5	FractionCSP3:	0.71
AlogP:	0.11	Num_rotatable_bonds:	6
MolWt:	173.22	Num_heavy_atoms:	12
TPSA:	99.2	NumAromaticRings:	0