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(1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

PubChem CID: 101286277

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Topological Polar Surface Area 207.0
Hydrogen Bond Donor Count 8.0
Inchi Key YEOAKYNPUWNNOB-KDYWOABDSA-N
Rotatable Bond Count 5.0
Heavy Atom Count 28.0
Compound Name (1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Exact Mass 408.127
Formal Charge 0.0
Monoisotopic Mass 408.127
Isotope Atom Count 0.0
Molecular Complexity 625.0
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 408.35
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 10.0
Iupac Name (1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C16H24O12/c17-2-7-10(20)11(21)12(22)15(27-7)28-14-9-8(5(3-26-14)13(23)24)6(19)1-16(9,25)4-18/h3,6-12,14-15,17-22,25H,1-2,4H2,(H,23,24)/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
Smiles C1[C@H]([C@H]2[C@@H]([C@]1(CO)O)[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Xlogp -4.0
Defined Bond Stereocenter Count 0.0
Molecular Formula C16H24O12