TPCN05453
![[object Object]](../../static/browser_molecular_png/TPCN05453.png)
| Name | Triscutin A |
| Molecular Formula | C90H122O12 |
| Molecular Weight | 1395.95 |
| CAS Registry Number | 247017-67-0 |
| SMILES | COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C6(O)Oc7cc8c(c(C)c7OC56C)C5Oc6cc7c(c(C)c6OC5C5C8(C)CCC6(C)C8CC(C)(C(=O)OC)CCC8(C)CCC56C)CCC5C7(C)CCC6(C)C7CC(C)(C(=O)OC)CCC7(C)CCC56C)C4(C)CCC3(C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Maytenus scutioides | Barks | 0.000667% | J Nat Prod. 1999. 62, 1185-1188. | 10.1021/np9900728. |
Properties
| HBA | 12 | HBD | 1 |
| HeavyAtoms | 102 | AlogP | 19.25 |
| TPSA | 153.12 | RotatableBonds | 3 |
| FractionCSP3 | 0.76 | Rings | 17 |
| AromaticRings | 2 | AliphaticRings | 15 |