GD115145

Name:

Muraminomicin E1

Formula:

C55H87O23N5

Smiles:

CCC1OC(OC(=O)CC(C)CC(=O)OC(CCCCCCCCC(C)C)CC(=O)OC2CN(C)C(C(OC3CC(O)C(CN)O3)C3OC(n4ccc(O)nc4=O)CC3O)C(=O)N(C)C2C(=O)O)C(OC)C(OC(=O)CCC(=O)O)C1OC

Aglycone:

CC(C)CCCCCCCCC(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

• CNP0071661

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

AD45495

Formula: C37H58O14N4

Smiles:

CC(C)CCCCCCCCC(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:	0.76
AlogP:	1.68	Num_rotatable_bonds:	21
MolWt:	782.89	Num_heavy_atoms:	55
TPSA:	255.56	NumAromaticRings:	1