TPCN03463

Name Euphornan E
Molecular Formula C37H47NO12
Molecular Weight 697.78
CAS Registry Number 2685760-49-8
SMILES CCC(C)C(=O)OC1C(OC(C)=O)C(C)=CC23OC2(CC(C)C3OC(C)=O)C(=O)C(C)C(OC(C)=O)C2C1C2(C)COC(=O)c1cccnc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia marginata Seeds 0.000467% None 10.1016/j.bioorg.2019.103546
Properties
HBA 13 HBD 0
HeavyAtoms 50 AlogP 3.96
TPSA 173.99 RotatableBonds 9
FractionCSP3 0.65 Rings 5
AromaticRings 1 AliphaticRings 4