16758186 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 20 20 21 21 23 23 24 24 26 26 26 27 27 27 14 15 15 17 11 35 12 36 13 37 16 38 19 42 22 25 25 26 27 12 13 28 14 29 15 30 16 31 32 33 34 18 19 20 39 21 22 23 22 40 24 41 25 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 11 3 12 13 28 3 1 12 4 11 14 29 3 1 13 5 11 15 30 3 1 14 1 12 16 31 3 1 15 1 13 2 32 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 3.135 4.8671 3.135 1.403 4.8671 0.5369 3.135 4.851 5.7452 10.6071 3.135 2.269 4.001 2.269 4.001 1.403 4.8671 5.7331 4.001 5.7331 4.001 4.8671 6.6431 6.6511 5.749 11.4731 9.741 2.5981 1.732 4.001 2.269 4.538 1.8015 1.0044 2.5981 1.403 4.8671 0 6.27 3.4641 7.1764 2.5981 7.1892 11.7831 12.01 11.1631 10.0511 9.2041 9.4311 3.31 3.31 0.31 1.31 1.31 2.81 4.31 7.3515 8.8793 3.9396 1.31 1.81 1.81 2.81 2.81 3.31 4.31 4.81 4.81 5.81 5.81 6.31 6.3168 7.3584 7.8793 4.4396 4.4396 1 2.12 1.19 3.43 2.5 3.785 3.785 0 0.69 0.69 3.12 4.5 6.12 6.0007 4.62 7.6664 3.9027 4.7496 4.9766 4.9766 4.7496 3.9027 8 8 3 3 3 3 6 8 8 8 8 8 8 8 8 8 8 8 11 12 13 14 15 17 17 18 19 20 20 21 23 24 22 25 3 4 5 16 2 18 19 20 21 22 23 22 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 498 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783C00000000000000000000000000000000000000344080000000000000810000001A00000800000C14B09803320E80000600880220D208000208002020000888000688C81D372286311AA27A23A5C0150FB987C0E03C0E21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-6-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one;methoxymethane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-6-[[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one;methoxymethane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-6-[(2<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;methoxymethane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-6-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;methoxymethane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[(2R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one;methoxymethane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-6-[(2R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin;methoxymethane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16O9.C2H6O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;1-3-2/h1-4,10,12-17,19-21H,5H2;1-2H3/t10?,12?,13?,14?,15-;/m0./s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BAENCGSMZNUADW-DKMIXJNDSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.12129689 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H22O10 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC.C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC.C1=CC(=O)OC2=CC(=C(C=C21)O[C@@H]3C(C(C(C(O3)CO)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 155 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.12129689 27 5 1 4 0 0 0 0 2 -1