TPCN03670

Name Notoginsenoside R1
Molecular Formula C47H80O18
Molecular Weight 933.14
CAS Registry Number 80418-24-2
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.001260% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Ranunculaceae Souliea vaginata Whole plants 0.000060% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 18 HBD 12
HeavyAtoms 65 AlogP -0.42
TPSA 298.14 RotatableBonds 12
FractionCSP3 0.96 Rings 7
AromaticRings 0 AliphaticRings 7