GD129978

Name:

Erucasaponin A

Formula:

C54H86O21

Smiles:

C=C(C)C1CCC2(C(=O)OC3OC(C)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0424861

AD00328

Formula: C30H48O3

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.09	Num_rotatable_bonds:	2
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0