GD003591

Name:

None

Formula:

C110H210O25N2P2

Smiles:

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NC1C(OP(=O)(O)O)OC(COC2OC(CO)C(OP(=O)(O)O)C(OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C2NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(O)C1OCC[C@H](O)CCCCCCCCCCC

Aglycone:

CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCC(O)CCO.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.O=P(O)(O)O.O=P(O)(O)O

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1185869
• CHEMBL438171

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

AD00506

Formula: C26H51O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.92
AlogP:	7.62	Num_rotatable_bonds:	23
MolWt:	425.7	Num_heavy_atoms:	30
TPSA:	69.39	NumAromaticRings:	0

AD00509

Formula: C28H54O4

Smiles:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.93
AlogP:	8.99	Num_rotatable_bonds:	25
MolWt:	454.74	Num_heavy_atoms:	32
TPSA:	63.6	NumAromaticRings:	0

AD00799

Formula: C30H59O3N

Smiles:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	9.18	Num_rotatable_bonds:	27
MolWt:	481.81	Num_heavy_atoms:	34
TPSA:	69.39	NumAromaticRings:	0

AD03247

Formula: C14H30O2

Smiles:

CCCCCCCCCCCC(O)CCO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	3.65	Num_rotatable_bonds:	12
MolWt:	230.39	Num_heavy_atoms:	16
TPSA:	40.46	NumAromaticRings:	0