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 |