7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one

C95H100O38 — CID 157392329

IUPAC7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@H]2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIInChI=1S/C28H32O13.C23H24O8.C22H22O9.C22H22O8/c1-11-22(33)24(35)26(37)28(38-11)41-27-20(6-13(10-29)23(34)25(27)36)39-15-7-16(31)21-17(32)9-18(40-19(21)8-15)12-2-4-14(30)5-3-12;1-11-2-4-12(5-3-11)17-9-16(26)20-15(25)7-14(8-18(20)31-17)30-19-6-13(10-24)21(27)23(29)22(19)28;23-9-11-5-18(21(28)22(29)20(11)27)30-13-6-14(25)19-15(26)8-16(31-17(19)7-13)10-1-3-12(24)4-2-10;23-10-12-6-18(21(27)22(28)20(12)26)29-13-7-14(24)19-15(25)9-16(30-17(19)8-13)11-4-2-1-3-5-11/h2-5,7-9,11,13,20,22-31,33-37H,6,10H2,1H3;2-5,7-9,13,19,21-25,27-29H,6,10H2,1H3;1-4,6-8,11,18,20-25,27-29H,5,9H2;1-5,7-9,12,18,20-24,26-28H,6,10H2/t11-,13+,20+,22-,23+,24+,25-,26+,27-,28-;13-,19-,21-,22+,23+;11-,18-,20-,21+,22+;12-,18-,20-,21+,22+/m0111/s1
InChIKeyBMDOIDAGYWSSPK-QCISWGFPSA-N
MW1849.81 g/mol
LogP2.60
Rot. Bonds18

About 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one

7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one (PubChem CID 157392329) has the molecular formula C95H100O38 and a molecular weight of 1849.81 g/mol. Its IUPAC name is 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one.

Molecular Properties

Compound Name7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
PubChem CID157392329
Molecular FormulaC95H100O38
Molecular Weight1849.81 g/mol
Exact Mass1848.59
IUPAC Name7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@H]2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIInChI=1S/C28H32O13.C23H24O8.C22H22O9.C22H22O8/c1-11-22(33)24(35)26(37)28(38-11)41-27-20(6-13(10-29)23(34)25(27)36)39-15-7-16(31)21-17(32)9-18(40-19(21)8-15)12-2-4-14(30)5-3-12;1-11-2-4-12(5-3-11)17-9-16(26)20-15(25)7-14(8-18(20)31-17)30-19-6-13(10-24)21(27)23(29)22(19)28;23-9-11-5-18(21(28)22(29)20(11)27)30-13-6-14(25)19-15(26)8-16(31-17(19)7-13)10-1-3-12(24)4-2-10;23-10-12-6-18(21(27)22(28)20(12)26)29-13-7-14(24)19-15(25)9-16(30-17(19)8-13)11-4-2-1-3-5-11/h2-5,7-9,11,13,20,22-31,33-37H,6,10H2,1H3;2-5,7-9,13,19,21-25,27-29H,6,10H2,1H3;1-4,6-8,11,18,20-25,27-29H,5,9H2;1-5,7-9,12,18,20-24,26-28H,6,10H2/t11-,13+,20+,22-,23+,24+,25-,26+,27-,28-;13-,19-,21-,22+,23+;11-,18-,20-,21+,22+;12-,18-,20-,21+,22+/m0111/s1
InChIKeyBMDOIDAGYWSSPK-QCISWGFPSA-N
XLogP2.60
TPSA661.74 Ų
H-Bond Donors24
H-Bond Acceptors38
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.81
LogP ≤ 52.60
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1038

Analyze 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one with MolForge

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Related Compounds

5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
CID 58212198
5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
CID 58212199
7-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 124527758
7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 124934342
7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 124934341
7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[4-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162922000
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 74977521
7-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 162899924
7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 101429694
7-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
CID 95223130
3-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]propanoic acid
CID 102405239
7-[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 44575350

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one?
The IUPAC name of 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one (CID 157392329) is 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one.
What is the SMILES notation for 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one?
The canonical SMILES for 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@H]2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12.
What is the InChIKey of 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one?
The InChIKey is BMDOIDAGYWSSPK-QCISWGFPSA-N. The full InChI is InChI=1S/C28H32O13.C23H24O8.C22H22O9.C22H22O8/c1-11-22(33)24(35)26(37)28(38-11)41-27-20(6-13(10-29)23(34)25(27)36)39-15-7-16(31)21-17(32)9-18(40-19(21)8-15)12-2-4-14(30)5-3-12;1-11-2-4-12(5-3-11)17-9-16(26)20-15(25)7-14(8-18(20)31-17)30-19-6-13(10-24)21(27)23(29)22(19)28;23-9-11-5-18(21(28)22(29)20(11)27)30-13-6-14(25)19-15(26)8-16(31-17(19)7-13)10-1-3-12(24)4-2-10;23-10-12-6-18(21(27)22(28)20(12)26)29-13-7-14(24)19-15(25)9-16(30-17(19)8-13)11-4-2-1-3-5-11/h2-5,7-9,11,13,20,22-31,33-37H,6,10H2,1H3;2-5,7-9,13,19,21-25,27-29H,6,10H2,1H3;1-4,6-8,11,18,20-25,27-29H,5,9H2;1-5,7-9,12,18,20-24,26-28H,6,10H2/t11-,13+,20+,22-,23+,24+,25-,26+,27-,28-;13-,19-,21-,22+,23+;11-,18-,20-,21+,22+;12-,18-,20-,21+,22+/m0111/s1.
What are the key properties of 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one?
7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one has a molecular weight of 1849.81 g/mol, XLogP of 2.60, 18 rotatable bonds, 24 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-(4-methylphenyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one;5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one is sourced from PubChem (CID 157392329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).