TPCN04357

Name Rubuside A;Rubuside B
Molecular Formula C36H56O9
Molecular Weight 632.84
CAS Registry Number 1189131-73-4
SMILES CC1=C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.001167% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Rosaceae Rubus ellipticus Roots 0.000067% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 3.38
TPSA 156.91 RotatableBonds 3
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6