GD140558

Name:

Polygalasaponin L

Formula:

C64H100O34

Smiles:

CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CC(=O)C4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(COC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(COC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0322478

AD56673

Formula: C30H44O8

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

HBA:	8	RingCount:	5
HBD:	5	FractionCSP3:	0.83
AlogP:	3.42	Num_rotatable_bonds:	3
MolWt:	532.67	Num_heavy_atoms:	38
TPSA:	152.36	NumAromaticRings:	0