TPCN03604

Name Chikusetsusaponin VI
Molecular Formula C59H100O27
Molecular Weight 1241.42
CAS Registry Number 137348-15-3
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Aesculus glabra Seeds 0.001900% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 27 HBD 17
HeavyAtoms 86 AlogP -3.74
TPSA 436.21 RotatableBonds 18
FractionCSP3 0.97 Rings 9
AromaticRings 0 AliphaticRings 9