TPCN04077

Name Vina-ginsenoside R1
Molecular Formula C44H74O15
Molecular Weight 843.06
CAS Registry Number 156980-41-5
SMILES CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex asprella Roots 0.000089% J Asian Nat Prod Res 15, 453-458 (2013). 10.1080/10286020.2013.783023
Properties
HBA 15 HBD 8
HeavyAtoms 59 AlogP 1.93
TPSA 234.29 RotatableBonds 8
FractionCSP3 0.98 Rings 7
AromaticRings 0 AliphaticRings 7