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 |