TPCN05261
| Name | ??-D-Glucopyranosiduronic acid, (3??,16??,21??,22??)-13,28-epoxy-16-hydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-22-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]oleanan-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-galactopyranosyl-(1??2)]- (ACI) |
| Molecular Formula | C68H100O27 |
| Molecular Weight | 1349.52 |
| CAS Registry Number | 2241034-71-7 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C23COC4(CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Myrsinaceae | Maesa argentea | Leaves | 0.033091% | Planta Med. 2016. 82, 1568-1575. | 10.1055/s-0042-118189 |
Properties
| HBA | 27 | HBD | 13 |
| HeavyAtoms | 95 | AlogP | 0.49 |
| TPSA | 415.73 | RotatableBonds | 16 |
| FractionCSP3 | 0.81 | Rings | 11 |
| AromaticRings | 1 | AliphaticRings | 10 |