TPCN02077

Name Cynarascolosides B
Molecular Formula C21H32O9
Molecular Weight 428.48
CAS Registry Number 518034-53-2
SMILES C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C1CC(O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cynara scolymus Leaves 0.047000% Bioorg Med Chem Lett 13(2): 223-228.(2003) 10.1016/s0960-894x(02)00889-2
Properties
HBA 9 HBD 5
HeavyAtoms 30 AlogP -1.06
TPSA 145.91 RotatableBonds 3
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4