TPCN05620

Name Anoectochine
Molecular Formula C39H56O3
Molecular Weight 572.87
CAS Registry Number 1089024-75-8
SMILES CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(CCC(OC(=O)C=Cc5ccc(O)cc5)C4(C)C)C3=CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Orchidaceae Anoectochilus roxburghii Whole plants 0.000070% Phytochem Anal. 2008. 19, 438-443. 10.1002/pca.1070.
Properties
HBA 3 HBD 1
HeavyAtoms 42 AlogP 9.99
TPSA 46.53 RotatableBonds 4
FractionCSP3 0.72 Rings 6
AromaticRings 1 AliphaticRings 5