TPCN02891
![[object Object]](../../static/browser_molecular_png/TPCN02891.png)
| Name | Ajugaside B |
| Molecular Formula | C26H36O10 |
| Molecular Weight | 508.56 |
| CAS Registry Number | 2304627-47-0 |
| SMILES | CC1Cc2c(O)c3c(c(O)c2O1)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ajuga ovalifolia | Whole plants | 0.000180% | Nat Prod Res 33, 2856-2859 (2019). | 10.1080/14786419.2018.1500574 |
Properties
| HBA | 10 | HBD | 6 |
| HeavyAtoms | 36 | AlogP | 0.89 |
| TPSA | 166.14 | RotatableBonds | 3 |
| FractionCSP3 | 0.73 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |