CID 24721502
PubChem CID: 24721502
Connections displayed (default: 10).
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| Compound Synonyms | Ginkgolide C, 15291-76-6, 1,7-Dihydroxy-ginkgolide A, Ginkgolide C (>90%), (1R,3R,6R,7S,8S,9R,10S,11R,12S,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, SCHEMBL16452771, AMOGMTLMADGEOQ-PYLUGNSCSA-N, MFCD02094178, MFCD06642603, AKOS025311463, FG23662, 1ST10398, AS-56372, (1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-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, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11R,11aR)-3-(1,1-Dimethylethyl)hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-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, BN 52022 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | (1R,3R,6R,7S,8S,9R,10S,11R,12S,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 |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Molecular Formula | C20H24O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMOGMTLMADGEOQ-PYLUGNSCSA-N |
| Fcsp3 | 0.85 |
| Logs | -4.1 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.026 |
| Compound Name | CID 24721502 |
| 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/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 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Semen (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ipomoea Biloba (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Reference: