GD119011

Name:

None

Formula:

C72H134O24N2P2

Smiles:

CCCCCCCCCCCC(=O)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCC)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCC

Aglycone:

CCCCCCCC(O)CC(=O)O.CCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(=O)CC(=N)O.CCCCCCCCCCCC(=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

• CNP0428061

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

AD24708

Formula: C10H20O3

Smiles:

CCCCCCCC(O)CC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	2.18	Num_rotatable_bonds:	8
MolWt:	188.27	Num_heavy_atoms:	13
TPSA:	57.53	NumAromaticRings:	0

AD46579

Formula: C14H27O2N

Smiles:

CCCCCCCCCCCC(=O)CC(=N)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.86
AlogP:	4.4	Num_rotatable_bonds:	12
MolWt:	241.37	Num_heavy_atoms:	17
TPSA:	61.15	NumAromaticRings:	0

AD47634

Formula: C26H51O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.92
AlogP:	8.67	Num_rotatable_bonds:	23
MolWt:	425.7	Num_heavy_atoms:	30
TPSA:	70.38	NumAromaticRings:	0