TPCN03427

Name Microglodiolide B
Molecular Formula C25H34O8
Molecular Weight 462.54
CAS Registry Number 2668266-26-8
SMILES CCC(C)C(=O)OC1CC(C)C2(CC(C3=CC(O)OC3=O)OC2=O)C2CCC3OC3(C)C12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Conyza pyrrhopappa Whole plants 0.000147% None 10.1080/14786419.2019.1690490
Properties
HBA 8 HBD 1
HeavyAtoms 33 AlogP 2.66
TPSA 111.66 RotatableBonds 4
FractionCSP3 0.80 Rings 5
AromaticRings 0 AliphaticRings 5