TPCN04224

Name Arborenin
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 875897-36-2
SMILES CC1=CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Careya arborea Leaves 0.006500% Phytochemistry 67(2): 183-190. 10.1016/j.phytochem.2005.10.028
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 1.71
TPSA 236.06 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7