GD139404

Name:

Purgic_Acid_C

Formula:

C59H104O33

Smiles:

CCCCCCC(CCCCCCCC(CC(=O)O)C1OC(C)C(O)C(O)C1O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O

Aglycone:

CCCCCCC(O)CCCCCCCCCC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(O)C(OC4C(OC5C(O)OC(C)C(O)C5O)OC(CO)C(O)C4O)OC(C)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0080312

AD09746

Formula: C17H34O3

Smiles:

CCCCCCC(O)CCCCCCCCCC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.94
AlogP:	4.91	Num_rotatable_bonds:	15
MolWt:	286.46	Num_heavy_atoms:	20
TPSA:	57.53	NumAromaticRings:	0