TPCN02082

Name Phyllaemblicins H5
Molecular Formula C33H44O18
Molecular Weight 728.70
CAS Registry Number 1799849-85-6
SMILES CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)OC3OC(C)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
Asteraceae Phyllanthus emblica Roots 0.000003% Phytochemistry 117: 123-134.(2015) 10.1016/j.phytochem.2015.06.001
Properties
HBA 18 HBD 8
HeavyAtoms 51 AlogP -3.37
TPSA 277.66 RotatableBonds 7
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5