TPCN06168

Name Celosin L
Molecular Formula C41H62O15
Molecular Weight 794.93
CAS Registry Number 1674405-31-2
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Amaranthaceae Celosia argentea Seeds 0.000420% J Pharm Biomed Anal . 2017 Jan 5;132:148-155 10.1016/j.jpba.2016.10.001
Properties
HBA 15 HBD 8
HeavyAtoms 56 AlogP 1.76
TPSA 249.97 RotatableBonds 7
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7