TPCN03795

Name Chikusetsusaponin LM1
Molecular Formula C41H70O12
Molecular Weight 755.00
CAS Registry Number 1403937-56-3
SMILES CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex kudingcha Leaves 0.000650% J Asian Nat Prod Res 14, 308-313 (2012). 10.1080/10286020.2011.653347
Properties
HBA 12 HBD 8
HeavyAtoms 53 AlogP 2.79
TPSA 198.76 RotatableBonds 9
FractionCSP3 0.95 Rings 6
AromaticRings 0 AliphaticRings 6