TPCN03893

Name Schefflerins E
Molecular Formula C36H60O9
Molecular Weight 636.87
CAS Registry Number 1345674-29-4
SMILES C=C(CO)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(OC5OC(CO)C(O)C(O)C5O)CC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Schefflera arboricola Leaves 0.000378% Chem Pharm Bull (Tokyo) 58, 1343-1348 (2010). 10.1248/cpb.58.1343
Properties
HBA 9 HBD 7
HeavyAtoms 45 AlogP 2.76
TPSA 160.07 RotatableBonds 6
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6