TPCN04706
| Name | (3??,16??)-16,28dihydroxyolean-12-en-3-O-??-D-glucopyranosyl(1??2)-??-D-glucuronopyranoside;??-D-Glucopyranosiduronic acid, (3??,16??)-16,28-dihydroxyolean-12-en-3-yl 2-O-??-D-glucopyranosyl- (9CI, ACI) |
| Molecular Formula | C42H68O14 |
| Molecular Weight | 796.99 |
| CAS Registry Number | 150975-93-2 |
| SMILES | CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Gymnema inodorum | Leaves | 0.000406% | Jpn J Pharmacol. 2001 Jun;86(2):223-9. | 10.1254/jjp.86.223. |
| Asteraceae | Artemisia sphaerocephala | Whole plants | 0.000098% | Nat Prod Res 22(18): 1633-1636. | 10.1080/14786410701869564 |
Properties
| HBA | 14 | HBD | 9 |
| HeavyAtoms | 56 | AlogP | 1.85 |
| TPSA | 236.06 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |