TPCN05565

Name Swartziatrioside
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 303125-05-5
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Catunaregam spinosa Barks 0.000144% Carbohydr Res. 2011. 346, 2200-2205. 10.1016/j.carres.2011.07.022.
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.35
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8