TPCN00013
![[object Object]](../../static/browser_molecular_png/TPCN00013.png)
| Name | Brachycerine |
| Molecular Formula | C27H34N2O10 |
| Molecular Weight | 546.57 |
| CAS Registry Number | 349647-30-9 |
| SMILES | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C1NCCc2c1[nH]c1ccccc21 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Psychotria brachyceras | Leaves | 0.158590% | J Nat Prod, 2001, 64, 677-679. | 10.1021/np000590e |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 39 | AlogP | -0.80 |
| TPSA | 182.96 | RotatableBonds | 5 |
| FractionCSP3 | 0.59 | Rings | 6 |
| AromaticRings | 2 | AliphaticRings | 4 |