TPCN05635

Name Platycoside I
Molecular Formula C64H104O33
Molecular Weight 1401.50
CAS Registry Number 899447-61-1
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.000052% Chem Pharm Bull (Tokyo). 2006. 54, 557-560. 10.1248/cpb.54.557.
Properties
HBA 33 HBD 20
HeavyAtoms 97 AlogP -7.17
TPSA 532.43 RotatableBonds 16
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11