TPCN06093

Name Garcihombronane B
Molecular Formula C31H50O5
Molecular Weight 502.74
CAS Registry Number 313947-63-6
SMILES COC(=O)C(C)=CC(O)CC(C)C1(C)CC=C2C3CCC4C(C)(C)C(O)CCC4(C)C3(O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Clusiaceae Garcinia hombroniana Barks 0.000962% Bioorg Chem . 2014 Jun;54:60-7 10.1016/j.bioorg.2014.04.003
Properties
HBA 5 HBD 3
HeavyAtoms 36 AlogP 5.57
TPSA 86.99 RotatableBonds 5
FractionCSP3 0.84 Rings 4
AromaticRings 0 AliphaticRings 4