GD009520

Name:

PESCAPROSIDE A

Formula:

C59H106O24

Smiles:

CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](O[C@H](CCCCC)CCCCCCCCCC(=O)OC)O[C@@H](C)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CCCCCC(O)CCCCCCCCCC(=O)OC.CCCCCCCCCCCC(=O)O

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL510033
• CNP0201845

AD00188

Formula: C12H24O2

Smiles:

CCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.92
AlogP:	3.99	Num_rotatable_bonds:	10
MolWt:	200.32	Num_heavy_atoms:	14
TPSA:	37.3	NumAromaticRings:	0

AD07458

Formula: C17H34O3

Smiles:

CCCCCC(O)CCCCCCCCCC(=O)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	4.61	Num_rotatable_bonds:	14
MolWt:	286.46	Num_heavy_atoms:	20
TPSA:	46.53	NumAromaticRings:	0