Coronarian
PubChem CID: 441560
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Coronarian, alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate), [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate, 63505-68-0, C08474, [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate, AC1L9BBJ, ((2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl)methyl 3-nitropropanoate, ((2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)tetrahydropyran-2-yl)methyl 3-nitropropanoate, ((2S,3S,4S,5S,6S)-3,4,6-Trihydroxy-5-((3-nitropropanoyl)oxy)oxan-2-yl)methyl 3-nitropropanoic acid, [(2S,3S,4S,5S,6S)-3,4,6-Trihydroxy-5-[(3-nitropropanoyl)oxy]oxan-2-yl]methyl 3-nitropropanoic acid, CHEBI:3886, NS00094099, Q27106229 |
|---|---|
| Topological Polar Surface Area | 214.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate |
| Prediction Hob | 1.0 |
| Xlogp | -2.5 |
| Molecular Formula | C12H18N2O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDUXCWJUZIOGJA-JPXBYFMYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.046 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.003 |
| Compound Name | Coronarian |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.086 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.086 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 382.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.1034763999999988 |
| Inchi | InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1 |
| Smiles | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC(=O)CC[N+](=O)[O-])O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthophyllum Elatius (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Afrocarpus Falcatus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aniba Duckei (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aniba Parviflora (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aniba Rosaeodora (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Aniba Santalodora (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Arrhenatherum Elatius (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Asclepias Asthmatica (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Asclepias Curassavica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Asclepias Eriocarpa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Asclepias Gigantea (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Asclepias Incarnata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Asclepias Speciosa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Asclepias Subulata (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Asclepias Syriaca (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Asclepias Tuberosa (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Asclepias Vestita (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Asclepias Vomitoria (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Astragalus Adsurgens (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Astragalus Asper (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Astragalus Atropubescens (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Astragalus Bicuspis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Astragalus Bisulcatus (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Astragalus Caprinus (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Astragalus Cibarius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Astragalus Cicer (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Astragalus Circassicus (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Astragalus Complanatus (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Astragalus Curvicarpus (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Astragalus Dissectus (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Astragalus Ernestii (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Astragalus Falcatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Astragalus Flexuosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Astragalus Flexus (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Astragalus Frigidus (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Astragalus Glycyphyllos (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Astragalus Goktschaicus (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Astragalus Grahamianus (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Astragalus Graveolens (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Astragalus Gummifer (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Astragalus Hamosus (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Astragalus Himalayanus (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Astragalus Inopinatus (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Astragalus Interpositus (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Astragalus Kabadianus (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Astragalus Kahiricus (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Astragalus Ladakensis (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Astragalus Multiceps (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Astragalus Munroi (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Astragalus Nivalis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Astragalus Oleifolius (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Astragalus Oxyphysus (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Astragalus Pamirensis (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Astragalus Pectinatus (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Astragalus Polyacanthus (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Astragalus Pterocarpus (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Astragalus Pycnanthus (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Astragalus Rhizanthus (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Astragalus Sempervirens (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Astragalus Sevangensis (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Astragalus Siculus (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Astragalus Sinicus (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Astragalus Spinosus (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Astragalus Strictus (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Astragalus Strobiliferus (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Astragalus Tragacantha (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Astragalus Tribulifolius (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Astragalus Trojanus (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Astragalus Wiedemannianus (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Astragalus Zahlbruckneri (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Baccharis Angustifolia (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Baccharis Dracunculifolia (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Baccharis Flabellata (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Baccharis Grandicapitulata (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Baccharis Indica (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Baccharis Latifolia (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Baccharis Linearis (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Baccharis Macraei (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Baccharis Magellanica (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Baccharis Megapotamica (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Baccharis Minutiflora (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Baccharis Neglecta (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Baccharis Patagonica (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Baccharis Potosina (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Baccharis Sagittalis (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Baccharis Santelicis (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Baccharis Sarothroides (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Baccharis Solieri (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Baccharis Thesioides (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Baccharis Trimera (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Baccharis Truncata (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Coelogyne Corymbosa (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Cordia Curassavica (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Cymbopogon Flexuosus (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Diospyros Peregrina (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Dolichos Falcatus (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Hedyotis Corymbosa (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Loranthus Falcatus (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Oldenlandia Corymbosa (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Origanum Onites (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Phyllanthus Flexuosus (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Pimpinella Peregrina (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Pittosporum Floribundum (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Platymiscium Floribundum (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Polycarpaea Corymbosa (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Premna Corymbosa (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Sabal Peregrina (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Scleria Corymbosa (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Swertia Corymbosa (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Tabernaemontana Corymbosa (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Turbina Corymbosa (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Veronica Peregrina (Plant) Rel Props:Reference: