TPCN05904

Name A??-Neogammaceran-28-oic acid, 3-[[2-O-(6-O-acetyl-??-D-glucopyranosyl)-??-D-glucopyranosyl]oxy]-22,23,29-trihydroxy-, ??-lactone, (3??,4??,22R)-
Molecular Formula C44H70O16
Molecular Weight 855.03
CAS Registry Number 323586-67-0
SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C67CCC(C6CCC45C)C(C)(CO)OC7=O)C3(C)CO)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Athyriaceae Deparia lancea Whole plants 0.106000% Chem Pharm Bull (Tokyo) . 2000 Dec;48(12):1930-4 10.1248/cpb.48.1930
Properties
HBA 16 HBD 8
HeavyAtoms 60 AlogP 0.93
TPSA 251.36 RotatableBonds 9
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8