TPCN02026

Name Phyllaemblicins H12
Molecular Formula C44H62O28
Molecular Weight 1038.95
CAS Registry Number 1799849-92-5
SMILES CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)CC(O)C1(O)C2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Phyllanthus emblica Roots 0.000014% Phytochemistry 117: 123-134.(2015) 10.1016/j.phytochem.2015.06.001
Properties
HBA 28 HBD 14
HeavyAtoms 72 AlogP -8.11
TPSA 435.96 RotatableBonds 13
FractionCSP3 0.80 Rings 8
AromaticRings 1 AliphaticRings 7