GD126070

Name:

Microcin C7

Formula:

C42H70O18N18PS

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)O)C(O)=N[P+](O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(C)O

Aglycone:

CO[P+](O)(N=C(O)C(CC(=O)O)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)O)OCCCN.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CNP0105615

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD50992

Formula: C33H61O15N13PS

Smiles:

CO[P+](O)(N=C(O)C(CC(=O)O)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)O)OCCCN

HBA:	28	RingCount:	0
HBD:	19	FractionCSP3:	0.67
AlogP:	0.98	Num_rotatable_bonds:	32
MolWt:	942.97	Num_heavy_atoms:	63
TPSA:	488.94	NumAromaticRings:	0