GD014828

Name:

DESMETHYLPALMITOYLCAPRAZOL

Formula:

C37H61O14N5

Smiles:

CCCCCCCCCCCCCCCC(=O)O[C@@H]1CN[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N(C)[C@H]1C(=O)O

Aglycone:

CCCCCCCCCCCCCCCC(=O)OC1CNC(CO)C(=O)N(C)C1C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1095637

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD10859

Formula: C24H44O6N2

Smiles:

CCCCCCCCCCCCCCCC(=O)OC1CNC(CO)C(=O)N(C)C1C(=O)O

HBA:	8	RingCount:	1
HBD:	3	FractionCSP3:	0.88
AlogP:	3.26	Num_rotatable_bonds:	17
MolWt:	456.62	Num_heavy_atoms:	32
TPSA:	116.17	NumAromaticRings:	0