TPCN04775

Name Ilexasprellanoside C
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 1610418-29-5
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex asprella Roots 0.000030% Chem Biodivers 11(5): 767-775. 10.1002/cbdv.201300155
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 4.12
TPSA 173.98 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6