TPCN05102

Name Caryocaroside IV-19
Molecular Formula C53H84O24
Molecular Weight 1105.23
CAS Registry Number 905448-56-8
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Fruits 0.000449% J Nat Prod 69, 919-926 (2006) 10.1021/np060097o
Properties
HBA 24 HBD 14
HeavyAtoms 77 AlogP -1.77
TPSA 391.20 RotatableBonds 12
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9