TPCN04371

Name Alpinoside
Molecular Formula C36H56O9
Molecular Weight 632.84
CAS Registry Number 146787-96-4
SMILES C=C1C(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.001100% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 3.24
TPSA 156.91 RotatableBonds 3
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6