GD001111

Name:

None

Formula:

C100H184O22N3P

Smiles:

C#CCCCCNC(=O)[C@@H]1O[C@H](OC[C@@H]2OC(O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2O)[C@H](NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1OP(=O)(O)O

Aglycone:

C#CCCCCNC=O.CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.O=P(O)(O)O

Sugarmoiety:

OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4060202

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

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

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

AD01157

Formula: C7H11ON

Smiles:

C#CCCCCNC=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.57
AlogP:	0.54	Num_rotatable_bonds:	5
MolWt:	125.17	Num_heavy_atoms:	9
TPSA:	29.1	NumAromaticRings:	0