TPCN05152

Name Caryocaroside IV-10
Molecular Formula C49H78O20
Molecular Weight 987.14
CAS Registry Number 905448-53-5
SMILES COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Fruits 0.000225% J Nat Prod 69, 919-926 (2006) 10.1021/np060097o
Properties
HBA 20 HBD 11
HeavyAtoms 69 AlogP -0.71
TPSA 321.28 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8