Icariside D2
PubChem CID: 10614148
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| Compound Synonyms | Icariside D2, 38954-02-8, (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 4-beta-D-Glucopyranosyloxybenzeneethanol, IcarisideD2, CHEBI:182721, DTXSID001318054, HY-N7450, NBA95402, AKOS040761858, NCGC00385783-01, DA-54230, CS-0129180, G14608, 4-(2-Hydroxyethyl)phenyl-beta-D-glucopyranoside, NCGC00385783-01_C14H20O7_4-(2-Hydroxyethyl)phenyl beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C14H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJDSCNUKKOKOQJ-RKQHYHRCSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.066 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.622 |
| Compound Name | Icariside D2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9848319714285715 |
| Inchi | InChI=1S/C14H20O7/c15-6-5-8-1-3-9(4-2-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 |
| Smiles | C1=CC(=CC=C1CCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients