TPCN04643
![[object Object]](../../static/browser_molecular_png/TPCN04643.png)
| Name | (3??,16??,21??)-16,21,28-trihydroxyolean-12-en-3-O-??-D-glucopyranosyl(1??2)-??-D-glucuronopyranoside |
| Molecular Formula | C42H68O15 |
| Molecular Weight | 812.99 |
| CAS Registry Number | 1173190-88-9 |
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Artemisia sphaerocephala | Whole plants | 0.000157% | Nat Prod Res 22(18): 1633-1636. | 10.1080/14786410701869564 |
Properties
| HBA | 15 | HBD | 10 |
| HeavyAtoms | 57 | AlogP | 0.82 |
| TPSA | 256.29 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |