TPCN02039
![[object Object]](../../static/browser_molecular_png/TPCN02039.png)
| Name | (5R,7R)-14-Hydroxy-3,4-dehydrohinesolone-11-O-??-D-apiofuranosyl-(1??6)-??-D-glucopyranoside |
| Molecular Formula | C26H40O12 |
| Molecular Weight | 544.59 |
| CAS Registry Number | 1932660-10-0 |
| SMILES | CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)C2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Atractylodes lancea | Subterraneous stems | 0.000011% | J Nat Prod 79(6): 1567-1575.(2016) | 10.1021/acs.jnatprod.6b00066 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 38 | AlogP | -1.72 |
| TPSA | 195.60 | RotatableBonds | 8 |
| FractionCSP3 | 0.81 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |