GD156237

Name:

Diapolycopenedioic Acid Xylosyl Ester C

Formula:

C51H74O9

Smiles:

CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC1OCC(O)C(O)C1OC(=O)CCCCCCCCCCCCC(C)C

Aglycone:

CC(C)CCCCCCCCCCCCC(=O)O.CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0353406

AD19592

Formula: C30H36O4

Smiles:

CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.2
AlogP:	7.61	Num_rotatable_bonds:	12
MolWt:	460.61	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0

AD61883

Formula: C16H32O2

Smiles:

CC(C)CCCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	5.41	Num_rotatable_bonds:	13
MolWt:	256.43	Num_heavy_atoms:	18
TPSA:	37.3	NumAromaticRings:	0