Methyl (1S,8S)-3-Hydroxy-1-Methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3,4,4A,8,8A-Hexahydropyrano[3,4-C]Pyran-5-Carboxylate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2136065 | |
| PubChem: | 25178022 | |
| IUPAC: | methyl (1S,8S)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate | |
| Standard InChI: | InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/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: | YTZSBJLNMIQROD-DLLKOCMPSA-N | |
| SMILES: | OC[C@H]1O[C@@H](O[C@@H]2OC=C(C3C2[C@H](C)OC(C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -2.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 406.15 | |
| Topological polar surface area: | 164 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.824 | |
| Number of carbons: | 17 | |