TPCN03612

Name Ilekudinchosides A
Molecular Formula C47H74O18
Molecular Weight 927.09
CAS Registry Number 1378931-08-8
SMILES CC1OC(OC2C(OC3C(O)C(CO)OC(OC4CCC5(C)C(CCC6(C)C5CC(O)C5=C7C8(CCC(C)(OC8=O)C7(C)O)CCC56C)C4(C)C)C3O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Aesculus glabra Seeds 0.001800% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 18 HBD 10
HeavyAtoms 65 AlogP 0.05
TPSA 283.98 RotatableBonds 7
FractionCSP3 0.94 Rings 10
AromaticRings 0 AliphaticRings 10