TPCN04354

Name Zanhasaponin E
Molecular Formula C37H56O13
Molecular Weight 708.84
CAS Registry Number 1643873-52-2
SMILES COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)CC34C)C2(C)C(=O)O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Zanha golungensis Barks 0.001200% Carbohydr Res 402: 225-231. 10.1016/j.carres.2014.10.001
Properties
HBA 13 HBD 7
HeavyAtoms 50 AlogP 2.24
TPSA 220.51 RotatableBonds 5
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6