GD130298

Name:

Muraminomicin C

Formula:

C55H85O23N5

Smiles:

CCCCCCCCC=CCC(CC(=O)OC1CN(C)C(C(OC2CC(O)C(CN)O2)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OC1OC(CC)C(OC)C(OC(=O)CCC(=O)O)C1OC

Aglycone:

CCCCCCCCC=CCC(CC(=O)OC1CN(C)C(C(O)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=C(O)CCC(=O)O

Sugarmoiety:

CCC1OC(O)C(OC)C(O)C1OC.NCC1OC(O)CC1O

Other Identifiers

• CNP0200320

AD05635

Formula: C4H6O4

Smiles:

O=C(O)CCC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.06	Num_rotatable_bonds:	3
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	74.6	NumAromaticRings:	0

AD52801

Formula: C37H56O14N4

Smiles:

CCCCCCCCC=CCC(CC(=O)OC1CN(C)C(C(O)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

HBA:	18	RingCount:	3
HBD:	5	FractionCSP3:	0.7
AlogP:	1.6	Num_rotatable_bonds:	21
MolWt:	780.87	Num_heavy_atoms:	55
TPSA:	255.56	NumAromaticRings:	1