TPCN04194
Name | Caulophyllogenin 3-O-??-L-arabinopyranoside;3??-[(??-L-arabinopyranosyl)oxy]-16??,23-dihydroxyolean-12-en-28-oic acid |
Molecular Formula | C35H56O9 |
Molecular Weight | 620.82 |
CAS Registry Number | 12672-43-4 |
SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
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 | 0.008000% | J Agric Food Chem . 2001 Dec;49(12):5969-74 | 10.1021/jf010814e |
Properties
HBA | 9 | HBD | 6 |
HeavyAtoms | 44 | AlogP | 3.64 |
TPSA | 156.91 | RotatableBonds | 4 |
FractionCSP3 | 0.91 | Rings | 6 |
AromaticRings | 0 | AliphaticRings | 6 |