TPCN05000

Name Caryocaroside IV-6
Molecular Formula C37H58O10
Molecular Weight 662.86
CAS Registry Number 880493-70-9
SMILES COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.001681% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 10 HBD 5
HeavyAtoms 47 AlogP 4.21
TPSA 162.98 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6