TPCN06379

Name ?javablumine A
Molecular Formula C30H44O5
Molecular Weight 484.68
CAS Registry Number 2365377-18-8
SMILES C=C1CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Adoxaceae Sambucus javanica Aerial parts 0.000219% None 10.1080/14786419.2019.1596092
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 4.64
TPSA 79.29 RotatableBonds 1
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7