TPCN05146

Name Arjungenin
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 58880-25-4
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asphodelaceae Pteleopsis suberosa Barks 0.000543% Phytochemistry. 2006. 67, 2623-2629. 10.1016/j.phytochem.2006.07.017
Combretaceae Combretum quadrangulare Seeds 0.000249% J Nat Prod 63, 496-500 (2000) 10.1021/np990581+
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.15
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5