Ganoderic Acid T
PubChem CID: 21637704
Connections displayed (default: 10).
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| Compound Synonyms | Ganoderic Acid T, (E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid, GA-T acid cpd, (E,5S,6S)-5-acetyloxy-6-((3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acid, SCHEMBL5808320, CHEMBL2205006, CHEBI:208185, HY-N11591, CS-0650591 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | OCLVBEOPEKEKNM-CAXIOAJTSA-N |
| Rotatable Bond Count | 11.0 |
| Heavy Atom Count | 44.0 |
| Compound Name | Ganoderic Acid T |
| Exact Mass | 612.366 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 612.366 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1300.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 612.8 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29-,30+,31-,34+,35+,36+/m0/s1 |
| Smiles | C[C@@H]([C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C)[C@H](C/C=C(\C)/C(=O)O)OC(=O)C |
| Xlogp | 6.5 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C36H52O8 |
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FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Sinense (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Erythroxylon Lucidum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Sp (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ligustrum Sinense (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Limonium Sinense (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pterocaulon Sp (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Rheum Sp (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Tetracentron Sinense (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Trachelospermum Lucidum (Plant) Rel Props:Reference: