Gal3Me(b1-4)b-Gal3Me
PubChem CID: 163063991
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| Topological Polar Surface Area | 168.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | -3.7 |
| Molecular Formula | C14H26O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHPIGROAJWTJIW-MFPCXRRISA-N |
| Fcsp3 | 1.0 |
| Logs | -0.429 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.484 |
| Compound Name | Gal3Me(b1-4)b-Gal3Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.148 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 370.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.16517620000000022 |
| Inchi | InChI=1S/C14H26O11/c1-21-11-7(17)5(3-15)24-14(9(11)19)25-10-6(4-16)23-13(20)8(18)12(10)22-2/h5-20H,3-4H2,1-2H3/t5-,6-,7+,8-,9-,10+,11+,12-,13-,14+/m1/s1 |
| Smiles | CO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)O)O)CO)CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Altissimum (Plant) Rel Props:Source_db:cmaup_ingredients