GD001695

Name:

None

Formula:

C94H174O21N3P

Smiles:

CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](COC(=O)CCCCCCCCCCNC(C)=O)[C@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

Aglycone:

CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC.COC(=O)CCCCCCCCCCNC(C)=O.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4747101

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

AD01212

Formula: C27H51O6N

Smiles:

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

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.89
AlogP:	5.91	Num_rotatable_bonds:	24
MolWt:	485.71	Num_heavy_atoms:	34
TPSA:	112.93	NumAromaticRings:	0

AD01213

Formula: C24H46O4

Smiles:

CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.92
AlogP:	7.43	Num_rotatable_bonds:	21
MolWt:	398.63	Num_heavy_atoms:	28
TPSA:	63.6	NumAromaticRings:	0

AD01214

Formula: C24H47O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.92
AlogP:	6.84	Num_rotatable_bonds:	21
MolWt:	397.64	Num_heavy_atoms:	28
TPSA:	69.39	NumAromaticRings:	0

AD01673

Formula: C14H27O3N

Smiles:

COC(=O)CCCCCCCCCCNC(C)=O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.86
AlogP:	2.81	Num_rotatable_bonds:	11
MolWt:	257.37	Num_heavy_atoms:	18
TPSA:	55.4	NumAromaticRings:	0