TPCN03561

Name Ilekudinchosides B
Molecular Formula C48H76O18
Molecular Weight 941.12
CAS Registry Number 1378931-09-9
SMILES COC1CC2C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C(C)(C)C3CCC2(C)C2(C)CCC34CCC(C)(OC3=O)C(C)(O)C4=C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Aesculus glabra Seeds 0.002500% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 18 HBD 9
HeavyAtoms 66 AlogP 0.71
TPSA 272.98 RotatableBonds 8
FractionCSP3 0.94 Rings 10
AromaticRings 0 AliphaticRings 10