GD136029

Name:

5-amino-2-[17,19,21,22-tetrakis(acetyloxy)-25-[(1-carboxy-2-methylpropyl)carbamoyl]-18,20-dihydroxypentacosanamido]pentanoic acid

Formula:

C44H77O16N3

Smiles:

CC(=O)OC(CCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)O)C(O)C(OC(C)=O)C(O)C(OC(C)=O)C(CCCC(O)=NC(C(=O)O)C(C)C)OC(C)=O

Aglycone:

CCCC(O)=NC(C(=O)O)C(C)C.CCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)O

Sugarmoiety:

CC(=O)OC(O)C(O)C(OC(C)=O)C(O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

• CNP0322416

AD51435

Formula: C9H17O3N

Smiles:

CCCC(O)=NC(C(=O)O)C(C)C

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.78
AlogP:	1.85	Num_rotatable_bonds:	5
MolWt:	187.24	Num_heavy_atoms:	13
TPSA:	69.89	NumAromaticRings:	0

AD54989

Formula: C21H42O3N2

Smiles:

CCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)O

HBA:	5	RingCount:	0
HBD:	4	FractionCSP3:	0.9
AlogP:	5.62	Num_rotatable_bonds:	19
MolWt:	370.58	Num_heavy_atoms:	26
TPSA:	95.91	NumAromaticRings:	0