GD121335

Name:

Microcin C51

Formula:

C42H68O19N17PS

Smiles:

CSCCC(N=CO)C(O)=NC(CCCNC(=N)N)C(O)=NC(C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(C)C(O)=NC(CC(O)=NCCCOP(=O)(O)OCC1OC(n2cnc3ncncc32)C(O)C1O)C(=O)O)C(C)ON

Aglycone:

C1=Nc2ncncc2[N]1.COP(=O)(O)OCCCN=C(O)CC(N=C(O)C(C)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(N=C(O)C(CCCNC(=N)N)N=C(O)C(CCSC)N=CO)C(C)ON)C(=O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CNP0243101

AD23937

Formula: C5H3N4

Smiles:

C1=Nc2ncncc2[N]1

HBA:	4	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	0.39	Num_rotatable_bonds:	0
MolWt:	119.11	Num_heavy_atoms:	9
TPSA:	52.24	NumAromaticRings:	1

AD48832

Formula: C33H60O16N13PS

Smiles:

COP(=O)(O)OCCCN=C(O)CC(N=C(O)C(C)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(N=C(O)C(CCCNC(=N)N)N=C(O)C(CCSC)N=CO)C(C)ON)C(=O)O

HBA:	29	RingCount:	0
HBD:	18	FractionCSP3:	0.67
AlogP:	1.35	Num_rotatable_bonds:	33
MolWt:	957.96	Num_heavy_atoms:	64
TPSA:	495.01	NumAromaticRings:	0