TPCN03015

Name
Molecular Formula C39H53NO12
Molecular Weight 727.85
CAS Registry Number 1309362-22-8
SMILES CCCC(=O)OC1C(C)CC2(O)C(=O)C(C)(OC(C)=O)C3C4C(CC(OC(C)=O)C3(COC(=O)c3cccnc3)C(OC(=O)C(C)CC)C12)C4(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Euphorbia macroclada Aerial parts 0.000100% Fitoterapia 81, 884-890 (2010). 10.1016/j.fitote.2010.05.015
Properties
HBA 13 HBD 1
HeavyAtoms 52 AlogP 4.41
TPSA 181.69 RotatableBonds 11
FractionCSP3 0.72 Rings 5
AromaticRings 1 AliphaticRings 4