Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside
PubChem CID: 11664897
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| Compound Synonyms | 111957-48-3, Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside, [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, 7NMJ4SI4P6, 3-O-{2-O-[6-O-(p-Hydroxyl-E-coumaroyl)-glucosyl]-(1-2)rhamnosyl kaempferol, Kaempferol 3-O-beta-(6''-p-coumaroyl)glucopyranosyl(1->2)-alpha-L-rhamnopyranoside, Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside (constituent of ginkgo) [DSC], kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside], (E)-((2R,3S,4S,5R,6S)-6-(((2S,3R,4R,5R,6S)-2-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside, UNII-7NMJ4SI4P6, CHEBI:66131, DTXSID001099303, 4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, HY-N6965, AKOS040760497, FS-8208, 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, DA-64695, PD124980, NP-008297, CS-0101451, NS00097550, D85017, Q27134652, [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, 3-(2-O-[6-O-(p-coumaroyl)-beta-d-glucopyranosyl]-alpha-l-rhamnopyranosyloxy)-4',5,7-trihydroxyflavone, 3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I+/--L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-2-O-(6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)- |
|---|---|
| Topological Polar Surface Area | 272.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 53.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C36H36O17 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KAJMZANRKFVVKV-RGXKZFLBSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.848 |
| Rotatable Bond Count | 10.0 |
| Logd | 1.533 |
| Compound Name | Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 740.195 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 740.195 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 740.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.577005211320757 |
| Inchi | InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients