TPCN05616

Name Platycoside O
Molecular Formula C53H84O25
Molecular Weight 1121.23
CAS Registry Number 1349676-94-3
SMILES COC(=O)C1(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OCC(O)C(O)C3OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)CC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.000076% Molecules. 2011. 16, 4371-4378. 10.3390/molecules16064371
Properties
HBA 25 HBD 14
HeavyAtoms 78 AlogP -3.66
TPSA 400.43 RotatableBonds 11
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9