TPCN04740

Name Rubuside I
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 1189131-80-3
SMILES C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000067% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.29
TPSA 177.14 RotatableBonds 5
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6