TPCN05419
![[object Object]](../../static/browser_molecular_png/TPCN05419.png)
| Name | Urs-12,20(30)-diene-27,28-dioic acid 3b-Ob-D-allopyranosyl-28-O-b-D-glucopyranoside |
| Molecular Formula | C42H64O15 |
| Molecular Weight | 808.96 |
| CAS Registry Number | 2089254-03-3 |
| SMILES | C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Ladenbergia hexandra | Barks | 0.001200% | Phytochemistry. 2017. 136, 147-155. | 10.1016/j.phytochem.2017.01.014 |
Properties
| HBA | 15 | HBD | 9 |
| HeavyAtoms | 57 | AlogP | 1.16 |
| TPSA | 253.13 | RotatableBonds | 7 |
| FractionCSP3 | 0.86 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |