Methyl (1S,4As,6S,7R,7As)-6-Hydroxy-7-Methyl-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2135791 | |
| PubChem: | 354446 | |
| IUPAC: | methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | |
| Standard InChI: | InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10?,11+,12?,13?,14?,16-,17?/m0/s1 | |
| Standard InChI Key: | AMBQHHVBBHTQBF-PTGPOGFDSA-N | |
| SMILES: | OCC1OC(O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)OC)C(C(C1O)O)O | |
Molecular propeties
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| AlogP: | -2.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 390.15 | |
| Topological polar surface area: | 155 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.824 | |
| Number of carbons: | 17 | |