TPCN05504

Name Holboelliside A
Molecular Formula C50H70O16
Molecular Weight 927.09
CAS Registry Number 2196207-37-9
SMILES C=C1CCC2(C(=O)OC3OC(COC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Holboellia coriacea Stems 0.000380% Molecules. 2016. 21. 10.3390/molecules21060734.
Properties
HBA 16 HBD 9
HeavyAtoms 66 AlogP 3.52
TPSA 262.36 RotatableBonds 9
FractionCSP3 0.72 Rings 8
AromaticRings 1 AliphaticRings 7