TPCN05404

Name Araliasaponin IV
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 175556-03-3
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Catunaregam spinosa Barks 0.001467% Carbohydr Res. 2011. 346, 2200-2205. 10.1016/j.carres.2011.07.022.
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -1.40
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9