TPCN03995

Name 3-O-beta-D-glucopyranosyl-2beta,12alpha,16alpha,23,24-pentahydroxyoleanane-28(13) -lactone
Molecular Formula C36H58O13
Molecular Weight 698.85
CAS Registry Number 1000210-52-5
SMILES CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.000180% Molecules 12, 832-841 (2007). 10.3390/12040832
Properties
HBA 13 HBD 9
HeavyAtoms 49 AlogP -0.41
TPSA 226.83 RotatableBonds 5
FractionCSP3 0.97 Rings 7
AromaticRings 0 AliphaticRings 7