TPCN01562
![[object Object]](../../static/browser_molecular_png/TPCN01562.png)
| Name | Atractylosides I |
| Molecular Formula | C27H44O13 |
| Molecular Weight | 576.64 |
| CAS Registry Number | 126054-85-1 |
| SMILES | CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2(C)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Atractylodes lancea | Subterraneous stems | 0.000313% | Nat Prod Res 34(8): 1138-1145.(2020) | 10.1080/14786419.2018.1553170 |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 40 | AlogP | -1.93 |
| TPSA | 215.83 | RotatableBonds | 7 |
| FractionCSP3 | 0.89 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |