TPCN04465

Name Rubuside H
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 1189131-79-0
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000533% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.21
TPSA 177.14 RotatableBonds 4
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6