GD120677

Name:

Primulasaponin

Formula:

C54H88O23

Smiles:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0299217

AD04545

Formula: C30H50O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	6.35	Num_rotatable_bonds:	0
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0