GD140658

Name:

None

Formula:

C31H52O13

Smiles:

CCCCCCCCC=CCCCOC1OCC(OC2OCC(OC(=O)CC(C)O)C(OC(C)=O)C2O)C(O)C1OC(C)=O

Aglycone:

CC(O)CC(=O)O.CCCCCCCCC=CCCCO

Sugarmoiety:

CC(=O)OC1C(O)COC(OC2COC(O)C(OC(C)=O)C2O)C1O

Other Identifiers

• CNP0432831

AD13177

Formula: C4H8O3

Smiles:

CC(O)CC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.16	Num_rotatable_bonds:	2
MolWt:	104.1	Num_heavy_atoms:	7
TPSA:	57.53	NumAromaticRings:	0

AD56710

Formula: C13H26O

Smiles:

CCCCCCCCC=CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.85
AlogP:	4.07	Num_rotatable_bonds:	10
MolWt:	198.35	Num_heavy_atoms:	14
TPSA:	20.23	NumAromaticRings:	0