TPCN04034

Name 3-O-??-D-glucopyranosyl-(1??2)-[??-L-rhamnopyranosyl-(1??2)-??-D-glucopyranosyl(1??4)]-??-L-arabinopyranosyl-3??,16??,28-trihydroxyolean-12-ene;(3??,16??)-16,28-Dihydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-glucopyranosyl-(1??4)-O-[??-D-glucopyranosyl-(1??2)]-??-L-arabinopyranoside
Molecular Formula C53H88O21
Molecular Weight 1061.27
CAS Registry Number 1178544-20-1
SMILES CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CO)C(O)CC56C)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 0.002100% J Nat Prod 74(10): 2128-2136. 10.1021/np2004038
Phyllanthaceae Glochidion puberum Aerial parts 0.000125% J Asian Nat Prod Res 10, 1029-1034 (2008). 10.1080/10286020802318826
Properties
HBA 21 HBD 13
HeavyAtoms 74 AlogP -0.92
TPSA 336.83 RotatableBonds 11
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9