TPCN02062

Name Phyllaemblicins G6
Molecular Formula C54H68O27
Molecular Weight 1149.11
CAS Registry Number 1632041-53-2
SMILES CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)OC3OC(COC(=O)C4CC(O)C5(O)C(C4)OC4(CC(OC(=O)c6ccccc6)C(C)CO4)C5O)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 0.000007% Org Biomol Chem 12(43): 8764-8774.(2014) 10.1039/c4ob01196a
Properties
HBA 27 HBD 11
HeavyAtoms 81 AlogP -3.61
TPSA 409.41 RotatableBonds 12
FractionCSP3 0.69 Rings 10
AromaticRings 2 AliphaticRings 8