TPCN04705

Name Yadanzioside G
Molecular Formula C36H48O18
Molecular Weight 768.76
CAS Registry Number 95258-17-6
SMILES COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OC(CO)C(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C24
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Simaroubaceae Brucea javanica Aerial parts 0.000100% Arch Pharm Res 32(5): 661-666. 10.1007/s12272-009-1503-8
Properties
HBA 18 HBD 6
HeavyAtoms 54 AlogP -2.05
TPSA 271.34 RotatableBonds 8
FractionCSP3 0.75 Rings 6
AromaticRings 0 AliphaticRings 6