Trigalactosylglycerol
PubChem CID: 129829804
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| Compound Synonyms | trigalactosylglycerol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 331.0 |
| Hydrogen Bond Donor Count | 15.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CC(C2CCCCC2)C2CCCCC2)CC1 |
| Np Classifier Class | Polysaccharides |
| Deep Smiles | OC[C@H]OC[C@@H][C@H][C@H]6O))O))O))CCCO[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))CO))O))CO[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))O |
| Heavy Atom Count | 39.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(CC(C2CCCCO2)C2CCCCO2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 769.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | (2R,3R,4S,5R)-2-(hydroxymethyl)-6-[1,2,3-trihydroxy-1,1-bis[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]oxane-3,4,5-triol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -7.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H38O18 |
| Scaffold Graph Node Bond Level | C1CCC(CC(C2CCCCO2)C2CCCCO2)OC1 |
| Inchi Key | KQFUYRNDJMVQKK-AEGDHBCISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | trigalactosylglycerol |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC |
| Compound Name | Trigalactosylglycerol |
| Exact Mass | 578.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 578.206 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 578.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 16.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C21H38O18/c22-1-5-8(26)11(29)14(32)17(37-5)20(35,4-25)21(36,18-15(33)12(30)9(27)6(2-23)38-18)19-16(34)13(31)10(28)7(3-24)39-19/h5-19,22-36H,1-4H2/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17?,18?,19?,20?,21?/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)C(CO)(C(C2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)(C3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:ISBN:9788172361150