TPCN04928

Name Caryocaroside III-22
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 914257-93-5
SMILES CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(OC4C(O)CC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Barks 0.005750% Phytochemistry 67, 2096-2102 (2006) 10.1016/j.phytochem.2006.07.009
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -0.23
TPSA 332.28 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8