TPCN05564

Name Catunaroside D
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 1244548-38-6
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)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)C2C1O
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 23 HBD 14
HeavyAtoms 76 AlogP -2.43
TPSA 374.13 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9