GD135619

Name:

Muraymycin B3

Formula:

C47H79O18N11

Smiles:

CCC(C)CCCCC(=O)OC(C(C)C)C(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(C(=O)O)C(OC1OC(CN)C(O)C1OC)C1OC(n2ccc(O)nc2=O)C(O)C1O

Aglycone:

CCC(C)CCCCC(=O)OC(C(C)C)C(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(CO)C(=O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:

COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O

Other Identifiers

• CNP0259941

AD15478

Formula: C4H4O2N2

Smiles:

O=c1nc(O)cc[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.52	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.98	NumAromaticRings:	1

AD54836

Formula: C33H60O10N8

Smiles:

CCC(C)CCCCC(=O)OC(C(C)C)C(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(CO)C(=O)O

HBA:	18	RingCount:	1
HBD:	11	FractionCSP3:	0.79
AlogP:	1.74	Num_rotatable_bonds:	24
MolWt:	728.89	Num_heavy_atoms:	51
TPSA:	290.87	NumAromaticRings:	0