Indican, plant
PubChem CID: 92769
Connections displayed (default: 10).
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| Compound Synonyms | Indican, plant, Indoxyl-beta-D-glucoside, C08481, 6C3007CF-B9A0-4848-8F19-F72FC933AD67 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C14H17NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XVARCVCWNFACQC-RQICVUQASA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -1.687 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.045 |
| Compound Name | Indican, plant |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.106 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 295.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7206470571428572 |
| Inchi | InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14?/m1/s1 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Tinctoria (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Baptisia Tinctoria (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Berberis Tinctoria (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Caesalpinia Tinctoria (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Chrozophora Tinctoria (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cota Tinctoria (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Fibraurea Tinctoria (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ficus Tinctoria (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Garcinia Tinctoria (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Genista Tinctoria (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Indigofera Tinctoria (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Isatis Costata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Maclura Tinctoria (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Marsdenia Tinctoria (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Morinda Tinctoria (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Persicaria Alpina (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Persicaria Amplexicaulis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Persicaria Bistorta (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Persicaria Capitata (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Persicaria Filiformis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Persicaria Glabra (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Persicaria Hydropiper (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Persicaria Lapathifolia (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Persicaria Maculosa (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Persicaria Minor (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Persicaria Nepalensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Persicaria Odorata (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Persicaria Orientalis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Persicaria Perfoliata (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Persicaria Polystachya (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Persicaria Pulchra (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Persicaria Sibirica (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Persicaria Stagnina (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Persicaria Thunbergii (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Persicaria Vivipara (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Persicaria Wallichii (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Strobilanthes Cusia (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Wendlandia Tinctoria (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Wrightia Tinctoria (Plant) Rel Props:Reference: