TPCN04132

Name Ilexoside XV
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 146713-91-9
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex pubescens Roots 0.000044% Planta Med 79, 70-77 (2013). 10.1055/s-0032-1327927
Properties
HBA 18 HBD 11
HeavyAtoms 65 AlogP -0.25
TPSA 294.98 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8