TPCN05648
Name | Prosapogenin-12 |
Molecular Formula | C86H138O42 |
Molecular Weight | 1844.01 |
CAS Registry Number | 186428-61-5 |
SMILES | C=CC(C)(CCC=C(C)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(C)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Albizia julibrissin | Barks | 0.000018% | Magn Reson Chem. 2008. 46, 1059-1065. | 10.1002/mrc.2263. |
Properties
HBA | 42 | HBD | 23 |
HeavyAtoms | 128 | AlogP | -6.22 |
TPSA | 656.34 | RotatableBonds | 26 |
FractionCSP3 | 0.91 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |