TPCN04580

Name Lupine
Molecular Formula C65H106O32
Molecular Weight 1399.53
CAS Registry Number 1427970-92-0
SMILES C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lonicera macranthoides Buds 0.000225% Carbohydr Res 370: 76-81. 10.1016/j.carres.2013.01.019
Properties
HBA 32 HBD 19
HeavyAtoms 97 AlogP -5.89
TPSA 512.20 RotatableBonds 18
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11