1,7-Dihydroxy-ginkgolide A
PubChem CID: 161120
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| Compound Synonyms | Ginkgolide C, 15291-76-6, GINKGOKIDE C, 1,7-Dihydroxy-ginkgolide A, C20H24O11, Ginkgolide C (~90%), NSC335757, NSC-335757, CID 24721502, LS-14795, DB-043165, 1,7-Dihydroxy-(1alpha,7beta)-Ginkgolide A, L001208, 8-TERT-BUTYL-6,9,12,17-TETRAHYDROXY-16-METHYL-2,4,14,19-TETRAOXAHEXACYCLO[8.7.2.0(1),(1)(1).0(3),?.0?,(1)(1).0(1)(3),(1)?]NONADECANE-5,15,18-TRIONE |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 957.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 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 |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | -1.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene lactones |
| Molecular Formula | C20H24O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMOGMTLMADGEOQ-UHFFFAOYSA-N |
| Fcsp3 | 0.85 |
| Logs | -3.321 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 0.559 |
| Synonyms | 1,7-Dihydroxy-(1alpha,7beta)-ginkgolide a, 1alpha,7beta-Dihydroxyginkgolide a, Ginkgokide c, Ginkgolide C |
| Compound Name | 1,7-Dihydroxy-ginkgolide A |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.132 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 440.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6476862000000008 |
| 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 |
| Smiles | CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Ginkgolides and bilobalides |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all