GD032300

Name:

None

Formula:

C88H165O22N2P

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL4765113

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

AD00507

Formula: C14H28O3

Smiles:

CCCCCCCCCCCC(O)CC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	3.74	Num_rotatable_bonds:	12
MolWt:	244.37	Num_heavy_atoms:	17
TPSA:	57.53	NumAromaticRings:	0

AD00508

Formula: C14H29O2N

Smiles:

CCCCCCCCCCCC(O)CC(N)=O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.93
AlogP:	3.14	Num_rotatable_bonds:	12
MolWt:	243.39	Num_heavy_atoms:	17
TPSA:	63.32	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