GD008751

Name:

NEUROSTATIN

Formula:

C87H152O41N4

Smiles:

CCCCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)O)[C@H]([C@H](O[C@@]4(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O4)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC

Aglycone:

CC(=O)NC1C(O)CC(OC(C(O)CO)C2OC(O)(C(=O)O)CC(O)C2NC(=O)O)(C(=O)O)OC1C(O)C(O)COC(C)=O.CCCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC

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

• CHEMBL2333157

AD06947

Formula: C23H36O19N2

Smiles:

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

HBA:	21	RingCount:	2
HBD:	12	FractionCSP3:	0.78
AlogP:	-6.0	Num_rotatable_bonds:	13
MolWt:	644.54	Num_heavy_atoms:	44
TPSA:	348.63	NumAromaticRings:	0

AD06948

Formula: C38H75O3N

Smiles:

CCCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.92
AlogP:	11.12	Num_rotatable_bonds:	34
MolWt:	594.02	Num_heavy_atoms:	42
TPSA:	69.56	NumAromaticRings:	0