Niazimin
PubChem CID: 10339912
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| Compound Synonyms | Niazimin, DTXSID701120604, 159768-73-7, Carbamic acid, [[4-[(4-O-acetyl-6-deoxy-I+/--L-mannopyranosyl)oxy]phenyl]methyl]-, ethyl ester |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S,3R,4S,5R,6S)-6-[4-[(ethoxycarbonylamino)methyl]phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 0.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C18H25NO8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VMTHKXYSTHHGCH-DXJAZKPLSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -2.979 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Logd | 1.421 |
| Synonyms | (e)-O-Ethyl 4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, (e)-O-Ethyl 4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, (e)-O-Ethyl-4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, (e)-O-Ethyl-4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, (Z)-O-Ethyl 4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, (Z)-O-Ethyl 4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, (Z)-O-Ethyl-4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, (Z)-O-Ethyl-4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, Niazimin a, Niazimin b, O-Ethyl 4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, O-Ethyl 4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, O-Ethyl-4-[(4'-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate, O-Ethyl-4-[(4’-O-acetyl-α-L-rhamnosyloxy)benzyl]carbamate, Niazimin |
| Compound Name | Niazimin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 383.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.158 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 383.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -2.6410058444444453 |
| Inchi | InChI=1S/C18H25NO8/c1-4-24-18(23)19-9-12-5-7-13(8-6-12)27-17-15(22)14(21)16(10(2)25-17)26-11(3)20/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,19,23)/t10-,14-,15+,16-,17-/m0/s1 |
| Smiles | CCOC(=O)NCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Excoecaria Acerifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garrya Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Goupia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Helipterum Gnaphaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Medinilla Magnifica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mesua Ferrea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Monopteryx Uaucu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Onobrychis Bobrovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Papaver Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Petteria Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Senecio Cathcartensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Sequoia Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Trifolium Strepens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all