TPCN06350

Name Meliazedarine A
Molecular Formula C37H50O11
Molecular Weight 670.80
CAS Registry Number 872357-64-7
SMILES CC=C(C)C(=O)OC1C2OCC3(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C23)C(CC(=O)OC)C1(C)C1=C(C)C(c2ccoc2)CC1OC
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Melia azedarach Fruits 0.000822% None 10.1021/acs.jnatprod.9b01151
Properties
HBA 11 HBD 0
HeavyAtoms 48 AlogP 5.47
TPSA 136.80 RotatableBonds 9
FractionCSP3 0.68 Rings 5
AromaticRings 1 AliphaticRings 4