Gal(b1-6)Gal(b1-6)Gal(b1-3)aldehydo-Gal
PubChem CID: 162905618
Connections displayed (default: 10).
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| Topological Polar Surface Area | 356.0 |
|---|---|
| Hydrogen Bond Donor Count | 14.0 |
| Heavy Atom Count | 45.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 901.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 19.0 |
| Iupac Name | (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal |
| Prediction Hob | 0.0 |
| Xlogp | -9.3 |
| Molecular Formula | C24H42O21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NHDBMIUIQOPAJE-FZOFNBMLSA-N |
| Fcsp3 | 0.9583333333333334 |
| Logs | -0.485 |
| Rotatable Bond Count | 14.0 |
| Logd | -4.629 |
| Compound Name | Gal(b1-6)Gal(b1-6)Gal(b1-3)aldehydo-Gal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 666.222 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 666.222 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 666.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 19.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.8228101999999953 |
| Inchi | InChI=1S/C24H42O21/c25-1-6(28)11(30)21(7(29)2-26)45-24-20(39)17(36)14(33)10(44-24)5-41-23-19(38)16(35)13(32)9(43-23)4-40-22-18(37)15(34)12(31)8(3-27)42-22/h2,6-25,27-39H,1,3-5H2/t6-,7+,8-,9-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larix Laricina (Plant) Rel Props:Source_db:cmaup_ingredients