Gal2Me3Me4Me6Me(b1-6)a-Gal1Me2Me3Me4Me
PubChem CID: 162846271
Connections displayed (default: 10).
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane |
| Prediction Hob | 0.0 |
| Xlogp | -1.0 |
| Molecular Formula | C20H38O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXOPDHZWKBJQBG-PCOOOABASA-N |
| Fcsp3 | 1.0 |
| Logs | -0.823 |
| Rotatable Bond Count | 12.0 |
| Logd | 1.123 |
| Compound Name | Gal2Me3Me4Me6Me(b1-6)a-Gal1Me2Me3Me4Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.241 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 454.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2422806000000015 |
| Inchi | InChI=1S/C20H38O11/c1-21-9-11-13(22-2)16(25-5)18(27-7)20(31-11)29-10-12-14(23-3)15(24-4)17(26-6)19(28-8)30-12/h11-20H,9-10H2,1-8H3/t11-,12-,13+,14+,15+,16+,17-,18-,19+,20-/m1/s1 |
| Smiles | COC[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)OC)OC)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Caulescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Withania Coagulans (Plant) Rel Props:Source_db:cmaup_ingredients