TPCN02180

Name Phyllanthacidoid S
Molecular Formula C35H49NO20
Molecular Weight 803.76
CAS Registry Number 1610884-20-2
SMILES CC(=O)NC1C(OC2C(OC(=O)C3CC4OC5(CC(O)C(C)COC(=O)c6ccc(O)cc6)OC(O)(C3)C4(O)C5O)CC(O)C(O)C2O)OC(CO)C(O)C1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Phyllanthaceae Phyllanthus acidus Whole plants 0.000041% Natural Product Research 35, 3540-3547 (2021). 10.1080/14786419.2020.1712387
Properties
HBA 21 HBD 12
HeavyAtoms 56 AlogP -5.02
TPSA 341.15 RotatableBonds 12
FractionCSP3 0.74 Rings 6
AromaticRings 1 AliphaticRings 5