TPCN04608

Name Zizyberanalic acid
Molecular Formula C30H46O4
Molecular Weight 470.69
CAS Registry Number 67594-73-4
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Breynia fruticosa Roots 0.000200% J Nat Prod 74(5): 1161-1168. 10.1021/np2000914
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 6.12
TPSA 74.60 RotatableBonds 3
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5