TPCN06285

Name 3-O-??-D-xylopyranosyl-(1??2)-??-L-arabinopyranosyl-28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl gypsogenin
Molecular Formula C53H84O22
Molecular Weight 1073.23
CAS Registry Number 905982-69-6
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C=O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Akebia quinata Fruits 0.000064% Chem Pharm Bull (Tokyo) . 2006 May;54(5):595-7 10.1248/cpb.54.595
Properties
HBA 22 HBD 12
HeavyAtoms 75 AlogP -1.19
TPSA 350.74 RotatableBonds 11
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9