TPCN02078

Name Phyllaemblicins G5
Molecular Formula C33H46O19
Molecular Weight 746.71
CAS Registry Number 1632041-52-1
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)C2O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Phyllanthus emblica Roots 0.000005% Org Biomol Chem 12(43): 8764-8774.(2014) 10.1039/c4ob01196a
Properties
HBA 19 HBD 11
HeavyAtoms 52 AlogP -5.22
TPSA 312.05 RotatableBonds 7
FractionCSP3 0.76 Rings 6
AromaticRings 1 AliphaticRings 5