Ginkgolide C
PubChem CID: 9867869
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| Compound Synonyms | Ginkgolide C, ginkgolide-C, BN-52022, UNII-32ZQ957R4A, 15291-76-6, 32ZQ957R4A, 1alpha,7beta-Dihydroxyginkgolide A, BN 52022, Ginkgolide A, 1,7-dihydroxy-, (1alpha,7beta)-, 7-hydroxy-ginkgolide B, 1,7-Dihydroxy-ginkgolide A, DTXSID60864569, GINKGOLIDE C [MI], GINKGOLIDE C [WHO-DD], CHEMBL4765159, DTXCID901021828, GLXC-13089, AKOS040748496, DB06745, GINKGOLIDE C (CONSTITUENT OF GINKGO), NS00071820, (1alpha,7beta)-1,7-DIHYDROXYGINKGOLIDE A, GINKGOLIDE C (CONSTITUENT OF GINKGO) [DSC], (1.ALPHA.,7.BETA.)-1,7-DIHYDROXYGINKGOLIDE A, (1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione, 9H-1,7A-(EPOXYMETHANO)-1H,6AH-CYCLOPENTA(C)FURO(2,3-B)FURO(3',2':3,4)CYCLOPENTA(1,2-D)FURAN-5,9,12(4H)-TRIONE, 3-(1,1-DIMETHYLETHYL)HEXAHYDRO-2,4,7B,11-TETRAHYDROXY-8-METHYL-, (1S,2R,3S,3AS,4R,6AR,7AR,7BR,8S,10AS,11R,11AR)- |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | AMOGMTLMADGEOQ-DTDWCABLSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,7-Dihydroxy-(1alpha,7beta)-ginkgolide a, 1alpha,7beta-Dihydroxyginkgolide A, Ginkgokide c, Ginkgolide A, 1,7-dihydroxy-, (1alpha,7beta)- |
| Heavy Atom Count | 31.0 |
| Compound Name | Ginkgolide C |
| Description | Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide C is found in ginkgo nuts and fats and oils. |
| Exact Mass | 440.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.132 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 957.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 440.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | (1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1 |
| Smiles | C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O |
| Xlogp | -1.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H24O11 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all