GD117782

Name:

Undecaprenyldiphospho-N-Acetyl-(N-Acetylglucosaminyl)Muramoyl-L-Alanyl-D-Isoglutaminyl-L-Lysyl-D-Alanyl-D-Alanine

Formula:

C94H157O25N9P2

Smiles:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O)C1N=C(C)O

Aglycone:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0083547

AD24454

Formula: C55H92O7P2

Smiles:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.6
AlogP:	18.44	Num_rotatable_bonds:	35
MolWt:	927.28	Num_heavy_atoms:	64
TPSA:	113.29	NumAromaticRings:	0

AD47008

Formula: C23H41O9N7

Smiles:

CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O

HBA:	16	RingCount:	0
HBD:	11	FractionCSP3:	0.7
AlogP:	1.58	Num_rotatable_bonds:	18
MolWt:	559.62	Num_heavy_atoms:	39
TPSA:	290.58	NumAromaticRings:	0