TPCN03776
Name | (3??,16??)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-glucopyranosyl-(1??4)-O-[??-D-glucopyranosyl-(1??2)]-??-L-arabinopyranoside;3-O-??-D-glucopyranosyl-(1??2)-[??-L-rhamnopyranosyl-(1??2)-??-D-glucopyranosyl(1??4)]-??-L-arabinopyranosyl-13??,28-epoxy-3??,16??-dihydroxyoleanane;Saponin (3) |
Molecular Formula | C53H88O21 |
Molecular Weight | 1061.27 |
CAS Registry Number | 160517-91-9 |
SMILES | CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Primulaceae | Lysimachia clethroides | Aerial parts | 0.005000% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
Aquifoliaceae | Ilex asprella | Roots | 0.000733% | J Asian Nat Prod Res 15, 453-458 (2013). | 10.1080/10286020.2013.783023 |
Primulaceae | Ardisia japonica | Whole plants | 0.000146% | J Nat Prod 70, 179-187 (2007). | 10.1021/np0604681 |
Properties
HBA | 21 | HBD | 12 |
HeavyAtoms | 74 | AlogP | -0.68 |
TPSA | 325.83 | RotatableBonds | 10 |
FractionCSP3 | 1.00 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |