TPCN05257

Name Gouaniaside IV
Molecular Formula C47H74O17
Molecular Weight 911.09
CAS Registry Number 2085753-56-4
SMILES CC(C)=CC1CC(C)(O)C2C3CCC4C(=C(C)CC5C(C)(C)C(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC45C)C34COC2(C4)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rhamnaceae Gouania longipetala Aerial parts 0.034842% Phytochemistry. 2017. 134, 71-77. 10.1016/j.phytochem.2016.11.004
Properties
HBA 17 HBD 9
HeavyAtoms 64 AlogP 0.91
TPSA 255.91 RotatableBonds 8
FractionCSP3 0.91 Rings 9
AromaticRings 0 AliphaticRings 9