TPCN00097
![[object Object]](../../static/browser_molecular_png/TPCN00097.png)
| Name | Croceaines A |
| Molecular Formula | C27H32N2O9 |
| Molecular Weight | 528.56 |
| CAS Registry Number | 850355-58-7 |
| SMILES | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C3NCCc4c3[nH]c3ccccc43)=CCC12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Palicourea crocea | Leaves | 0.006506% | J Nat Prod, 2004, 67, 1886-1888. | 10.1021/np0340807 |
Properties
| HBA | 11 | HBD | 6 |
| HeavyAtoms | 38 | AlogP | 0.15 |
| TPSA | 162.73 | RotatableBonds | 5 |
| FractionCSP3 | 0.52 | Rings | 6 |
| AromaticRings | 2 | AliphaticRings | 4 |