TPCN02720

Name Squoside A
Molecular Formula C31H50O11
Molecular Weight 598.73
CAS Registry Number 1331826-98-2
SMILES C=C(C)C1CCC2(C)C1CC(O)C(C)=CCCC1(C)OC1C2OC1OC(C)C(OC2OCC(O)C(O)C2O)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Thalictrum squarrosum Aerial parts 0.000341% Chem Pharm Bull (Tokyo) 58, 1043-1046 (2010). 10.1248/cpb.58.1043
Properties
HBA 11 HBD 6
HeavyAtoms 42 AlogP 0.92
TPSA 170.83 RotatableBonds 5
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5