TPCN02868

Name Squarroside V
Molecular Formula C42H70O12
Molecular Weight 767.01
CAS Registry Number 1331826-99-3
SMILES CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)CO
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Thalictrum squarrosum Aerial parts 0.000195% Chem Pharm Bull (Tokyo) 58, 1043-1046 (2010). 10.1248/cpb.58.1043
Properties
HBA 12 HBD 8
HeavyAtoms 54 AlogP 2.79
TPSA 198.76 RotatableBonds 10
FractionCSP3 0.95 Rings 7
AromaticRings 0 AliphaticRings 7