GD155178

Name:

tunicamycin e

Formula:

C38H61O16N3

Smiles:

CCCC(C)CCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(C3C=CC(O)=NC3=O)C(O)C2O)C(O)C1O

Aglycone:

CCCC(C)CCCCCCC=CC(=N)O.O=C1CC=CC(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

• CNP0436101

AD60609

Formula: C5H5O2N

Smiles:

O=C1CC=CC(O)=N1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.2
AlogP:	0.43	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	49.66	NumAromaticRings:	0

AD61569

Formula: C14H27ON

Smiles:

CCCC(C)CCCCCCC=CC(=N)O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.79
AlogP:	4.85	Num_rotatable_bonds:	10
MolWt:	225.38	Num_heavy_atoms:	16
TPSA:	44.08	NumAromaticRings:	0