TPCN04195

Name 3??-[(??-L-arabinopyranosyl)oxy]-16??,23-dihy-droxyolean-12-en-28-oic acid O-??-L-rhamnopyranosyl-(1??4)-O-??-D-glucopyranosy1-(1??6)-??-D-glucopyranosy1 ester;3-O-??-L-arabinopyranosyl-caulophyllogenin 28-O-??-L-rhamnopyranosyl-(1??4)-??-D-glucopyranosyl(1??6)-??-D-glucopyranoside
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 188426-48-4
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.020050% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Berberidaceae Caulophyllum thalictroides Roots 0.010000% J Agric Food Chem . 2001 Dec;49(12):5969-74 10.1021/jf010814e
Properties
HBA 23 HBD 14
HeavyAtoms 76 AlogP -2.43
TPSA 374.13 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9