TPCN03737

Name Aesculiosides G2
Molecular Formula C54H84O23
Molecular Weight 1101.24
CAS Registry Number 1361004-63-8
SMILES CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Orobanchaceae Pedicularis kansuensis Aerial parts 0.000900% Fitoterapia 82, 854-860 (2011). 10.1016/j.fitote.2011.04.005
Properties
HBA 23 HBD 12
HeavyAtoms 77 AlogP -0.68
TPSA 367.81 RotatableBonds 13
FractionCSP3 0.87 Rings 8
AromaticRings 0 AliphaticRings 8