TPCN05936
![[object Object]](../../static/browser_molecular_png/TPCN05936.png)
| Name | Ligulataside B |
| Molecular Formula | C65H105NO30 |
| Molecular Weight | 1380.53 |
| CAS Registry Number | 2170323-58-5 |
| SMILES | CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Acacia ligulata | Husks | 0.012903% | J Nat Prod . 2017 Oct 27;80(10):2692-2698 | 10.1021/acs.jnatprod.7b00437 |
Properties
| HBA | 31 | HBD | 17 |
| HeavyAtoms | 96 | AlogP | -4.33 |
| TPSA | 480.61 | RotatableBonds | 16 |
| FractionCSP3 | 0.94 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |