Rha(a1-4)Glc(b1-6)b-Glc
PubChem CID: 91857681
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 248.0 |
|---|---|
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 626.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -6.4 |
| Molecular Formula | C18H32O15 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMICOLSPNWTQEF-VOSXJIGGSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.991 |
| Rotatable Bond Count | 6.0 |
| Logd | -3.523 |
| Compound Name | Rha(a1-4)Glc(b1-6)b-Glc |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.174 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 488.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5470781999999992 |
| Inchi | InChI=1S/C18H32O15/c1-4-7(20)9(22)13(26)18(30-4)33-15-5(2-19)32-17(14(27)11(15)24)29-3-6-8(21)10(23)12(25)16(28)31-6/h4-28H,2-3H2,1H3/t4-,5+,6+,7-,8+,9+,10-,11+,12+,13+,14+,15+,16+,17+,18-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Dendo (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Diphylleia Grayi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ilex Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Primula Veris (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Schefflera Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients