Cellulase
PubChem CID: 440950
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| Compound Synonyms | Cellulase, beta-cellotriose, 9012-54-8, Kutrase, (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 61788-77-0, Cellulase (USAN), Cellulase [USAN], Cellulysin, Endoglucanase, Kuzyme, (2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, Cellulase, enzyme blend, Endo 1,4 beta Glucanase, Endo-1,4-beta-Glucanase, CELLULASE [WHO-DD], Cellulase, aspergillus niger, Cellulase, trichoderma viride, DTXSID2049638, CHEBI:41753, 1,4)betaDGlucan4glucanohydrolase, FYGDTMLNYKFZSV-CSHPIKHBSA-N, beta 1,4 Glucan 4 Glucanohydrolase, beta-1,4-Glucan-4-Glucanohydrolase, EINECS 232-734-4, DB01697, DA-51762, EC 3.2.1.4, NS00070416, EC 232-734-4, 1,4-(1,3, 1,4)-beta-D-Glucan-4-glucanohydrolase, Q26840894, Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranose, 232-734-4 |
|---|---|
| Topological Polar Surface Area | 269.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 641.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -6.9 |
| Molecular Formula | C18H32O16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYGDTMLNYKFZSV-CSHPIKHBSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.724 |
| Rotatable Bond Count | 7.0 |
| Logd | -3.868 |
| Compound Name | Cellulase |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 504.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 504.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8288843999999986 |
| Inchi | InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all