TPCN04461
![[object Object]](../../static/browser_molecular_png/TPCN04461.png)
| Name | Pithelucoside B |
| Molecular Formula | C80H128O39 |
| Molecular Weight | 1713.87 |
| CAS Registry Number | 1001598-53-3 |
| SMILES | C=CC(C)(O)CCC=C(CO)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 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Pithecellobium lucidum | Roots | 0.000556% | J Nat Prod 71(1): 41-46. | 10.1021/np0703794 |
Properties
| HBA | 39 | HBD | 22 |
| HeavyAtoms | 119 | AlogP | -6.10 |
| TPSA | 617.65 | RotatableBonds | 25 |
| FractionCSP3 | 0.90 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |