TPCN04454

Name Uncarinic acid D
Molecular Formula C40H56O7
Molecular Weight 648.88
CAS Registry Number 277751-60-7
SMILES COc1cc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)C(C)C4C2=CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria rhynchophylla Hooks 0.000577% J Nat Prod 63(6): 753-756. 10.1021/np990478k
Properties
HBA 7 HBD 3
HeavyAtoms 47 AlogP 8.04
TPSA 113.29 RotatableBonds 6
FractionCSP3 0.70 Rings 6
AromaticRings 1 AliphaticRings 5