GD005250

Name:

PACHYELASIDE C

Formula:

C67H100O28

Smiles:

CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3CC(C)(C)[C@H](OC(=O)C=Cc4ccccc4)C[C@]3(C(=O)O)CC[C@@]21C

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)COC(OC4C(O)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2252210
• CNP0124598

AD02167

Formula: C39H54O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.69
AlogP:	8.47	Num_rotatable_bonds:	4
MolWt:	602.86	Num_heavy_atoms:	44
TPSA:	83.83	NumAromaticRings:	1