TPCN05678

Name Ilexoside XXXVII
Molecular Formula C42H68O15
Molecular Weight 812.99
CAS Registry Number 152340-51-7
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Rosenbergiodendron formosum Leaves 0.019643% Phytochemistry. 2000 May;54(1):77-84. 10.1016/s0031-9422(00)00034-0.
Properties
HBA 15 HBD 10
HeavyAtoms 57 AlogP 0.26
TPSA 256.29 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7