GD021023

Name:

None

Formula:

C37H61O16N4

Smiles:

CC(=O)NC1C(OC2OC(CC(O)C3OC([N+]4=CCC(=O)NC4=O)C(O)C3O)C(O)C(O)C2NC(=O)C=CCCCCCCCCC(C)C)OC(CO)C(O)C1O

Aglycone:

CC(C)CCCCCCCCC=CC(N)=O.O=C1CC=[NH+]C(=O)N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1550920

AD03291

Formula: C14H27ON

Smiles:

CC(C)CCCCCCCCC=CC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.79
AlogP:	3.8	Num_rotatable_bonds:	10
MolWt:	225.38	Num_heavy_atoms:	16
TPSA:	43.09	NumAromaticRings:	0

AD14426

Formula: C4H5O2N2

Smiles:

O=C1CC=[NH+]C(=O)N1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.25
AlogP:	-2.22	Num_rotatable_bonds:	0
MolWt:	113.1	Num_heavy_atoms:	8
TPSA:	60.14	NumAromaticRings:	0