TPCN05624

Name Catunaroside B
Molecular Formula C48H78O17
Molecular Weight 927.14
CAS Registry Number 1338566-67-8
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Catunaregam spinosa Barks 0.000067% Carbohydr Res. 2011. 346, 2200-2205. 10.1016/j.carres.2011.07.022.
Properties
HBA 17 HBD 10
HeavyAtoms 65 AlogP 1.73
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8