TPCN03983

Name Notoginsenoside R6
Molecular Formula C48H82O19
Molecular Weight 963.17
CAS Registry Number 87741-78-4
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(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex litseaefolia Stems 0.000200% J Nat Prod 68, 1531-1535 (2005). 10.1021/np050285z
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.06
TPSA 318.37 RotatableBonds 13
FractionCSP3 0.96 Rings 7
AromaticRings 0 AliphaticRings 7