TPCN00185
![[object Object]](../../static/browser_molecular_png/TPCN00185.png)
| Name | Isomaltopaeoniflorin |
| Molecular Formula | C29H38O16 |
| Molecular Weight | 642.61 |
| CAS Registry Number | 262350-54-9 |
| SMILES | CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia obovata | Roots | 0.001540% | Chem Pharm Bull (Tokyo), 2000, 48, 201-207. | 10.1248/cpb.48.201 |
| Paeoniaceae | Paeoniae radix | Whole plants | 0.000691% | Fitoterapia, 2019, 138, 104290. | 10.1016/j.fitote.2019.104290 |
Properties
| HBA | 16 | HBD | 8 |
| HeavyAtoms | 45 | AlogP | -3.53 |
| TPSA | 243.52 | RotatableBonds | 9 |
| FractionCSP3 | 0.76 | Rings | 9 |
| AromaticRings | 1 | AliphaticRings | 8 |