TPCN05732

Name Cangoronine
Molecular Formula C30H44O5
Molecular Weight 484.68
CAS Registry Number 138884-84-1
SMILES CC1=C(O)C(=O)CC2C1(C=O)CCC1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Glyptopetalum sclerocarpum Barks 0.001714% Chem Pharm Bull (Tokyo). 2000 Sep;48(9):1347-9. 10.1248/cpb.48.1347.
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 6.51
TPSA 91.67 RotatableBonds 2
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5