TPCN02813

Name Squarroside VI
Molecular Formula C48H80O17
Molecular Weight 929.15
CAS Registry Number 1331827-00-9
SMILES CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)CO
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Thalictrum squarrosum Aerial parts 0.000244% Chem Pharm Bull (Tokyo) 58, 1043-1046 (2010). 10.1248/cpb.58.1043
Properties
HBA 17 HBD 11
HeavyAtoms 65 AlogP 0.61
TPSA 277.91 RotatableBonds 13
FractionCSP3 0.96 Rings 8
AromaticRings 0 AliphaticRings 8