TPCN04779

Name Uralsaponin X
Molecular Formula C50H74O22
Molecular Weight 1027.12
CAS Registry Number 1616062-89-5
SMILES CC(=O)OC1CC(C)(C(=O)O)CC2C3=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza uralensis Roots 0.000034% J Nat Prod. 2014 Jul 25;77(7):1632-43. 10.1021/np500253m.
Fabaceae Glycyrrhiza uralensis Roots 0.000027% Fitoterapia 133: 186-192. 10.1016/j.fitote.2019.01.014
Properties
HBA 22 HBD 10
HeavyAtoms 72 AlogP 0.64
TPSA 352.26 RotatableBonds 10
FractionCSP3 0.86 Rings 8
AromaticRings 0 AliphaticRings 8