TPCN05888

Name Uralsaponin Q
Molecular Formula C47H72O19
Molecular Weight 941.07
CAS Registry Number 1616062-82-8
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C(=O)C=C5C7CC(C)(C(=O)O)C(O)CC7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza uralensis Roots 0.000011% J Nat Prod. 2014 Jul 25;77(7):1632-43. 10.1021/np500253m.
Properties
HBA 19 HBD 10
HeavyAtoms 66 AlogP 0.62
TPSA 308.89 RotatableBonds 8
FractionCSP3 0.89 Rings 8
AromaticRings 0 AliphaticRings 8