Fructosylsucrose
PubChem CID: 129637494
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| Compound Synonyms | fructosylsucrose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 300.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2(CC3CCCC3)CCCCC2)CC1 |
| Np Classifier Class | Polysaccharides |
| Deep Smiles | OC[C@H]O[C@@]OCCO))O[C@@H][C@H][C@@H]5O))O))CO))))))[C@@H][C@H][C@@H]6O))O))O))CO[C@@]O)CO))[C@H][C@@H][C@@H]6O))O))O |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(C2(OC3CCCO3)CCCCO2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 729.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | (2S,3S,4R,5S)-6-[(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -7.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H32O17 |
| Scaffold Graph Node Bond Level | C1CCC(C2(OC3CCCO3)CCCCO2)OC1 |
| Inchi Key | MQWKEVAQXLEZEE-HFWDFKEKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | fructosylsucrose |
| Esol Class | Highly soluble |
| Functional Groups | CC(C)(OC)O[C@@](C)(C)OC, CO, CO[C@@](C)(C)O |
| Compound Name | Fructosylsucrose |
| Exact Mass | 520.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 520.164 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 520.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C18H32O17/c19-1-5-7(23)9(25)14(30)18(33-5,15-11(27)10(26)12(28)16(31,3-21)34-15)35-17(4-22)13(29)8(24)6(2-20)32-17/h5-15,19-31H,1-4H2/t5-,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@](O1)(C2[C@H]([C@H]([C@@H]([C@@](O2)(CO)O)O)O)O)OC3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)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 Capsicum Annuum (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042084