GD026075

Name:

Saponin Pk

Formula:

C59H96O26

Smiles:

CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)[C@@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@]7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)[C@](C)(CO)C7CC[C@@]6(C)[C@@]4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1873826
• CNP0269362

AD00356

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0