TPCN01993

Name Phyllaemblicins G8
Molecular Formula C54H66O28
Molecular Weight 1163.09
CAS Registry Number 1632041-55-4
SMILES CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)OCC3OC(OC4C(OC(=O)C5CC(O)C6(O)C(=O)C7(CC(OC(=O)c8ccccc8)C(C)CO7)OC6C5)OC(CO)C(O)C4O)C(O)C(O)C3O)CC(O)C1(O)C2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Phyllanthus emblica Roots 0.000022% Org Biomol Chem 12(43): 8764-8774.(2014) 10.1039/c4ob01196a
Properties
HBA 28 HBD 11
HeavyAtoms 82 AlogP -3.69
TPSA 426.48 RotatableBonds 12
FractionCSP3 0.67 Rings 10
AromaticRings 2 AliphaticRings 8