TPCN01416
| Name | 3??, 7??-Dibydroxy-5??,6??-epoxyeudesm-4(15)-ene-11-(O-??-D-fucopyranoside-2', 4'-diangelate-3'-metbylbutyrate) |
| Molecular Formula | C36H54O11 |
| Molecular Weight | 662.82 |
| CAS Registry Number | 151625-92-2 |
| SMILES | C=C1C(O)CCC2(C)CCC(O)(C(C)(C)OC3OC(C)C(OC(=O)C(C)=CC)C(OC(=O)C(C)CC)C3OC(=O)C(C)=CC)C3OC132 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Calendula arvensis | Aerial parts | 0.000500% | J Nat Prod 56, 1821-1824(1993) | 10.1021/np50100a025 |
Properties
| HBA | 11 | HBD | 2 |
| HeavyAtoms | 47 | AlogP | 4.62 |
| TPSA | 150.35 | RotatableBonds | 10 |
| FractionCSP3 | 0.75 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |