GD006436

Name:

None

Formula:

C69H127O19N2P

Smiles:

CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(=O)O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC

Aglycone:

CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OC(=O)CCCCC.CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC.O=P(O)(O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL505526

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

AD05331

Formula: C23H43O6N

Smiles:

CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OC(=O)CCCCC

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.87
AlogP:	4.35	Num_rotatable_bonds:	20
MolWt:	429.6	Num_heavy_atoms:	30
TPSA:	112.93	NumAromaticRings:	0

AD05332

Formula: C20H38O4

Smiles:

CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	5.87	Num_rotatable_bonds:	17
MolWt:	342.52	Num_heavy_atoms:	24
TPSA:	63.6	NumAromaticRings:	0

AD05333

Formula: C20H39O3N

Smiles:

CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	5.27	Num_rotatable_bonds:	17
MolWt:	341.54	Num_heavy_atoms:	24
TPSA:	69.39	NumAromaticRings:	0