TPCN05026

Name Caryocarosides II-12
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 905448-45-5
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Fruits 0.001236% J Nat Prod 69, 919-926 (2006) 10.1021/np060097o
Properties
HBA 23 HBD 14
HeavyAtoms 76 AlogP -2.42
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9