GD031849

Name:

None

Formula:

C94H177O19N2P

Smiles:

CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H](OCCN(CC(=O)O)C(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O[C@H](CO)[C@@H]1OP(=O)(O)O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL2377518

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

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

AD01232

Formula: C28H55O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	8.4	Num_rotatable_bonds:	25
MolWt:	453.75	Num_heavy_atoms:	32
TPSA:	69.39	NumAromaticRings:	0

AD20487

Formula: C32H61O6N

Smiles:

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

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	0.91
AlogP:	7.82	Num_rotatable_bonds:	29
MolWt:	555.84	Num_heavy_atoms:	39
TPSA:	104.14	NumAromaticRings:	0