TPCN05719
Name | 16a-hydroxyprotobassic acid |
Molecular Formula | C69H112O37 |
Molecular Weight | 1533.62 |
CAS Registry Number | 1167567-97-6 |
SMILES | CC1OC(OC2C(OC3OCC(O)C(O)C3O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapotaceae | Sideroxylon foetidissimum | Roots | 0.002432% | Phytochemistry. 2009 Apr;70(6):765-72. | 10.1016/j.phytochem.2009.03.014. |
Properties
HBA | 37 | HBD | 22 |
HeavyAtoms | 106 | AlogP | -8.71 |
TPSA | 591.35 | RotatableBonds | 17 |
FractionCSP3 | 0.96 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |