TPCN00064
![[object Object]](../../static/browser_molecular_png/TPCN00064.png)
| Name | Bahienoside A |
| Molecular Formula | C44H58N2O18 |
| Molecular Weight | 902.94 |
| CAS Registry Number | 552333-60-5 |
| SMILES | C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCN1CCc2c([nH]c3ccccc23)C1CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Psychotria bahiensis | Aerial parts | 0.015167% | J Nat Prod, 2003, 66, 752-754. | 10.1021/np020554a |
Properties
| HBA | 20 | HBD | 9 |
| HeavyAtoms | 64 | AlogP | -0.86 |
| TPSA | 288.85 | RotatableBonds | 15 |
| FractionCSP3 | 0.59 | Rings | 7 |
| AromaticRings | 2 | AliphaticRings | 5 |