GD027700

Name:

None

Formula:

C91H171O25NP2

Smiles:

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](CO)O[C@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](O)[C@H]2OC)[C@H]1NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Aglycone:

CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.COP(=O)(O)O.O=P(O)(O)O

Sugarmoiety:

COC1C(OC2OC(CO)C(O)C(O)C2O)OC(O)C(O)C1O

Other Identifiers

• CHEMBL3354640

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

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	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

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