TPCN02088

Name Phyllaemblicins H9
Molecular Formula C33H44O19
Molecular Weight 744.70
CAS Registry Number 1799849-89-0
SMILES CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)OC3C(O)C(O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC(O)C1(O)C2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Phyllanthus emblica Roots 0.000002% Phytochemistry 117: 123-134.(2015) 10.1016/j.phytochem.2015.06.001
Properties
HBA 19 HBD 10
HeavyAtoms 52 AlogP -5.01
TPSA 308.89 RotatableBonds 7
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5