TPCN04534

Name Platycodon A
Molecular Formula C42H68O16
Molecular Weight 828.99
CAS Registry Number 1459719-53-9
SMILES CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(OC3OC(CO)C(O)C(O)C3O)C2(C(=O)O)CC1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.000340% Chem Pharm Bull (Tokyo) 61(1): 101-104. 10.1248/cpb.c12-00713
Properties
HBA 16 HBD 11
HeavyAtoms 58 AlogP -0.21
TPSA 276.52 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7