TPCN00249
![[object Object]](../../static/browser_molecular_png/TPCN00249.png)
| Name | Croceaines B |
| Molecular Formula | C27H28N2O9 |
| Molecular Weight | 524.53 |
| CAS Registry Number | 800391-13-3 |
| SMILES | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(c3nccc4c3[nH]c3ccccc34)=CCC12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Palicourea crocea | Leaves | 0.000941% | J Nat Prod, 2004, 67, 1886-1888. | 10.1021/np0340807 |
Properties
| HBA | 11 | HBD | 5 |
| HeavyAtoms | 38 | AlogP | 0.97 |
| TPSA | 163.59 | RotatableBonds | 5 |
| FractionCSP3 | 0.41 | Rings | 6 |
| AromaticRings | 3 | AliphaticRings | 3 |