TPCN05631

Name Platycoside H
Molecular Formula C42H68O17
Molecular Weight 844.99
CAS Registry Number 899447-65-5
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(CO)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.000056% Chem Pharm Bull (Tokyo). 2006. 54, 557-560. 10.1248/cpb.54.557.
Properties
HBA 17 HBD 12
HeavyAtoms 59 AlogP -1.23
TPSA 296.75 RotatableBonds 9
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7