TPCN04326

Name Suavissimoside R1
Molecular Formula C36H56O12
Molecular Weight 680.83
CAS Registry Number 95645-51-5
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.001700% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Rosaceae Rubus crataegifolius Roots 0.001500% Arch Pharm Res . 2001 Oct;24(5):412-5 10.1007/BF02975185
Properties
HBA 12 HBD 8
HeavyAtoms 48 AlogP 1.50
TPSA 214.44 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6