GD030268

Name:

Diapolycopenedioic Acid Xylosyl Ester

Formula:

C49H70O9

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[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCC(C)C

Aglycone:

CC(C)CCCCCCCCCCC(=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

• CHEMBL3125445
• CNP0124043

AD19591

Formula: C14H28O2

Smiles:

CC(C)CCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.93
AlogP:	4.63	Num_rotatable_bonds:	11
MolWt:	228.38	Num_heavy_atoms:	16
TPSA:	37.3	NumAromaticRings:	0

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