TPCN04940

Name Cucurbitacin E glucoside
Molecular Formula C38H54O13
Molecular Weight 718.84
CAS Registry Number 1398-78-3
SMILES CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Citrullus colocynthis Fruits 0.005000% Environ Toxicol Pharmacol 33, 245-251 (2012) 10.1016/j.etap.2011.12.010
Properties
HBA 13 HBD 6
HeavyAtoms 51 AlogP 1.45
TPSA 217.35 RotatableBonds 8
FractionCSP3 0.74 Rings 5
AromaticRings 0 AliphaticRings 5