TPCN05545

Name Holboelliside B
Molecular Formula C44H62O13
Molecular Weight 798.97
CAS Registry Number 2196207-38-0
SMILES CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC6OC(COC(=O)C=Cc7ccc(O)c(O)c7)C(O)C(O)C6O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Holboellia coriacea Stems 0.000200% Molecules. 2016. 21. 10.3390/molecules21060734.
Properties
HBA 13 HBD 8
HeavyAtoms 57 AlogP 4.43
TPSA 223.67 RotatableBonds 8
FractionCSP3 0.73 Rings 7
AromaticRings 1 AliphaticRings 6