GD036092

Name:

None

Formula:

C39H64O16N4

Smiles:

CCCCCCCCCCCCCC=CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CC(O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CCCCCCCCCCCCCC=CC(N)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

CC(=O)NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL4212311

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

AD06999

Formula: C16H31ON

Smiles:

CCCCCCCCCCCCCC=CC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.81
AlogP:	4.73	Num_rotatable_bonds:	13
MolWt:	253.43	Num_heavy_atoms:	18
TPSA:	43.09	NumAromaticRings:	0