(2S,3R,4S,5S,6R)-2-[(2S)-3-hydroxy-2-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 162864895
Connections displayed (default: 10).
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| Topological Polar Surface Area | 147.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[(2S)-3-hydroxy-2-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -0.7 |
| Molecular Formula | C20H30O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZYWACJBTHHVOE-NUEONSHGSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.011 |
| Rotatable Bond Count | 11.0 |
| Logd | -0.122 |
| Compound Name | (2S,3R,4S,5S,6R)-2-[(2S)-3-hydroxy-2-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 430.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 430.184 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 430.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4645900000000005 |
| Inchi | InChI=1S/C20H30O10/c1-26-7-3-4-12-5-6-14(15(8-12)27-2)29-13(9-21)11-28-20-19(25)18(24)17(23)16(10-22)30-20/h3-6,8,13,16-25H,7,9-11H2,1-2H3/t13-,16+,17+,18-,19+,20-/m0/s1 |
| Smiles | COCC=CC1=CC(=C(C=C1)O[C@@H](CO)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Humifusa (Plant) Rel Props:Source_db:cmaup_ingredients