TPCN03740

Name Notoginsenosides A
Molecular Formula C54H90O24
Molecular Weight 1123.29
CAS Registry Number 193895-26-0
SMILES C=C(C)C(=O)CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Panax notoginseng Roots 0.000883% Chem Pharm Bull (Tokyo), 1997, 45, 1039-1045. 10.1248/cpb.45.1039
Properties
HBA 24 HBD 15
HeavyAtoms 78 AlogP -3.02
TPSA 394.36 RotatableBonds 17
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8