TPCN03940

Name N-acetyldihydrocyclomicrophylline F
Molecular Formula C28H48N2O3
Molecular Weight 460.70
CAS Registry Number 1245657-03-7
SMILES CC(=O)NC1CCC23CC24CCC2(C)C(C(C)N(C)C)C(O)CC2(C)C4CCC3C1(C)CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex kudincha Leaves 0.000267% Magn Reson Chem 50, 325-328 (2012). 10.1002/mrc.2872
Properties
HBA 5 HBD 3
HeavyAtoms 33 AlogP 3.82
TPSA 72.80 RotatableBonds 4
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5