TPCN05885

Name Uralsaponin W
Molecular Formula C42H62O15
Molecular Weight 806.94
CAS Registry Number 1616062-88-4
SMILES CC1(C=O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza uralensis Roots 0.000014% J Nat Prod. 2014 Jul 25;77(7):1632-43. 10.1021/np500253m.
Properties
HBA 15 HBD 7
HeavyAtoms 57 AlogP 2.36
TPSA 246.81 RotatableBonds 7
FractionCSP3 0.86 Rings 7
AromaticRings 0 AliphaticRings 7