GD149811

Name:

Saponarioside A

Formula:

C82H128O45

Smiles:

CC(=O)OC1C(C)OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3C=CC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(C=CC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0426262

AD56549

Formula: C30H46O5

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(C=CC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.87
AlogP:	5.24	Num_rotatable_bonds:	2
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	94.83	NumAromaticRings:	0