TPCN04409

Name Cycloart-23Z-ene-3??25-diol-3??-trans-ferulate
Molecular Formula C40H58O5
Molecular Weight 618.90
CAS Registry Number 832095-91-7
SMILES COc1cc(C=CC(=O)OC2CCC34CC35CCC3(C)C(C(C)CC=CC(C)(C)O)CCC3(C)C5CCC4C2(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Oryza sativa Peels 0.000800% J Nat Prod 68(1): 94-97. 10.1021/np049889d
Properties
HBA 5 HBD 2
HeavyAtoms 45 AlogP 9.12
TPSA 75.99 RotatableBonds 8
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5