TPCN04849

Name Saponin 6
Molecular Formula C37H58O10
Molecular Weight 662.86
CAS Registry Number 111869-98-8
SMILES COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago hybrida Roots 0.025000% J Agric Food Chem 54, 2520-2526 (2006) 10.1021/jf0581628
Properties
HBA 10 HBD 5
HeavyAtoms 47 AlogP 4.21
TPSA 162.98 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6