TPCN04150
![[object Object]](../../static/browser_molecular_png/TPCN04150.png)
| Name | 3??-O-(??-d-xylopyranosyl-(1??2)-[??-d-glucopyranosyl-(1??4)-??-d-glucopyranosyl-(1??3)]-??-d-fucopyranosyl-11, 13(18) diene-olean-23??, 28 dio1 |
| Molecular Formula | C53H86O21 |
| Molecular Weight | 1059.25 |
| CAS Registry Number | 1581286-00-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)CCC34C)C2(C)CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000031% | J Asian Nat Prod Res 15, 453-458 (2013). | 10.1080/10286020.2013.783023 |
Properties
| HBA | 21 | HBD | 13 |
| HeavyAtoms | 74 | AlogP | -1.00 |
| TPSA | 336.83 | RotatableBonds | 12 |
| FractionCSP3 | 0.92 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |