Monnieriside A
PubChem CID: 70686986
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| Compound Synonyms | Monnieriside A, Monnierisides A, 1401807-73-5, 5,7-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]chromen-4-one, 5,7-dihydroxy-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)chromen-4-one, CHEMBL2087915, HY-N11037, AKOS040735877, DA-55621 |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5,7-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -1.1 |
| Is Pains | False |
| Molecular Formula | C16H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HKSWNVKSXBFJGZ-YMILTQATSA-N |
| Fcsp3 | 0.4375 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Monnieriside A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 370.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 370.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.978437384615385 |
| Inchi | InChI=1S/C16H18O10/c17-4-11-13(21)14(22)15(23)16(26-11)24-5-7-3-9(20)12-8(19)1-6(18)2-10(12)25-7/h1-3,11,13-19,21-23H,4-5H2/t11-,13-,14+,15-,16-/m1/s1 |
| Smiles | C1=C(C=C2C(=C1O)C(=O)C=C(O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients