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 |