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 |