TPCN00151

Name Monardins E
Molecular Formula C16H28O7
Molecular Weight 332.39
CAS Registry Number 1262796-95-1
SMILES CC(C)C1=CC(OC2OC(CO)C(O)C(O)C2O)C(C)(O)CC1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Monarda punctata Whole plants 0.002469% Phytochemistry, 2010, 71, 1884-1891. 10.1016/j.phytochem.2010.08.009
Properties
HBA 7 HBD 5
HeavyAtoms 23 AlogP -0.70
TPSA 119.61 RotatableBonds 4
FractionCSP3 0.88 Rings 2
AromaticRings 0 AliphaticRings 2