TPCN04688

Name Sophoradiol monoglucuronide
Molecular Formula C30H50O2
Molecular Weight 442.73
CAS Registry Number 6822-47-5
SMILES CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Pueraria thomsonii Flowers 0.000103% J Asian Nat Prod Res 15(10): 1065-1072. 10.1080/10286020.2013.802690
Properties
HBA 2 HBD 2
HeavyAtoms 32 AlogP 7.14
TPSA 40.46 RotatableBonds 0
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5