GD004076

Name:

DISACCHARIDE TRIPEPTIDE GLYCEROL DIPALMITOYL

Formula:

C65H116O21N6

Smiles:

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)[C@H](C)NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)O[C@H]([C@H](C=O)NC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)CC)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

Sugarmoiety:

CC(=O)NC(C=O)C(OO)C(OC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)CO

Other Identifiers

• CHEMBL4297391

AD03614

Formula: C49H90O10N4

Smiles:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)CC)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

HBA:	14	RingCount:	0
HBD:	5	FractionCSP3:	0.86
AlogP:	9.12	Num_rotatable_bonds:	43
MolWt:	895.28	Num_heavy_atoms:	63
TPSA:	209.29	NumAromaticRings:	0