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