TPCN05702

Name 3,24-Diacetate 3-epi-spathodic acid;Stigmasterol 3-O-??-glucoside;Stigmasterol glucoside
Molecular Formula C35H58O6
Molecular Weight 574.84
CAS Registry Number 19716-26-8
SMILES CCC(C=CC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Centella asiatica Leaves 0.004989% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Clusiaceae Garcinia hombroniana Barks 0.000577% Bioorg Chem . 2014 Jun;54:60-7 10.1016/j.bioorg.2014.04.003
Rubiaceae Coussarea brevicaulis Stems 0.000340% Phytochemistry. 2003 Sep;64(1):293-302. 10.1016/s0031-9422(03)00268-1
Properties
HBA 6 HBD 4
HeavyAtoms 41 AlogP 5.63
TPSA 99.38 RotatableBonds 8
FractionCSP3 0.89 Rings 5
AromaticRings 0 AliphaticRings 5