TPCN01977

Name Phyllaemblicins G2
Molecular Formula C34H48O20
Molecular Weight 776.74
CAS Registry Number 1632041-50-9
SMILES CC(CO)C(CC12OC3CC(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CC(O1)C3(O)C2(O)CO)OC(=O)c1ccccc1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Phyllanthus emblica Roots 0.000029% Org Biomol Chem 12(43): 8764-8774.(2014) 10.1039/c4ob01196a
Properties
HBA 20 HBD 11
HeavyAtoms 54 AlogP -5.24
TPSA 321.28 RotatableBonds 13
FractionCSP3 0.76 Rings 6
AromaticRings 1 AliphaticRings 5