Galactocerebroside
PubChem CID: 44339430
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| Compound Synonyms | galactocerebroside, CHEMBL110111, BDBM50061123, ((Z)-2-Hydroxy-1-hydroxymethyl-heptadec-3-enyl)-carbamic acid (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Neutral glycosphingolipids |
| Deep Smiles | CCCCCCCCCCCCC/C=CCCNC=O)O[C@@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O))))))))CO)))O |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Fatty acyl glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-[(Z)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H47NO9 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | LEBBDRXHHNYZIA-LDUWYPJVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | galactocerebroside |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CNC(=O)O[C@@H](C)OC, CO |
| Compound Name | Galactocerebroside |
| Exact Mass | 505.325 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 505.325 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 505.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1 |
| Smiles | CCCCCCCCCCCCC/C=C\C(C(CO)NC(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Sphingolipids |
- 1. Outgoing r'ship
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