TPCN05791
![[object Object]](../../static/browser_molecular_png/TPCN05791.png)
| Name | Asterbatanoside I |
| Molecular Formula | C56H90O26 |
| Molecular Weight | 1179.31 |
| CAS Registry Number | 163565-02-4 |
| SMILES | CC(=O)OCC1(C)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC21C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Compositae | Aster batangensis | Roots | 0.000407% | Phytochemistry. 1995 Mar;38(4):927-33. | 10.1016/0031-9422(94)00744-e. |
Properties
| HBA | 26 | HBD | 15 |
| HeavyAtoms | 82 | AlogP | -3.52 |
| TPSA | 420.66 | RotatableBonds | 14 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |