GD115521

Name:

Muraymycin A3

Formula:

C52H90O18N14

Smiles:

COC1C(OC(C(NCCCN=C(O)C(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(OC(=O)CCCCCCCCCCCCNC(=N)N)C(C)C)C(=O)O)C2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CN)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0224914

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

AD45715

Formula: C38H71O10N11

Smiles:

CC(C)C(N=C(O)NC(C(O)=NC(C(O)=NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCCNC(=N)N)C(C)C)C1CCNC(=N)N1)C(=O)O

HBA:	21	RingCount:	1
HBD:	15	FractionCSP3:	0.79
AlogP:	1.9	Num_rotatable_bonds:	31
MolWt:	842.05	Num_heavy_atoms:	59
TPSA:	352.77	NumAromaticRings:	0