Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside
PubChem CID: 10169367
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| Compound Synonyms | 143061-65-8, Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside, [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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, 8PGL6583N7, Quercetin 3-O-beta-D-(6''-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside, Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside (constituent of ginkgo) [DSC], quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside], Quercetin 3-O-beta-(6''-p-coumaroyl)glucopyranosyl(1->2)-alpha-L-rhamnopyranoside, (E)-((2R,3S,4S,5R,6S)-6-(((2S,3R,4R,5R,6S)-2-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-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, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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-8PGL6583N7, Quercetin-3-O-[2-O-(6-O-p-hydroxyl-E-coumaroyl)-D-glucosyl]-(1-2)-L-rhamnoside, CHEBI:66285, HY-N6964, AKOS040760659, 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)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, DA-67061, MS-31343, PD127129, CS-0101452, D85019, Q27134826, Quercetin 3-O-??-D-(6''-p-coumaroyl)glucopyranosyl(1??2)-??-L-rhamnopyranoside, 3-(2-O-[6-O-(p-coumaroyl)-beta-d-glucopyranosyl]-alpha-l-rhamnopyranosyloxy)-3',4',5,7-tetrahydroxyflavone, 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)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-, Quercetin 3-O-, A-D-(6''-p-coumaroyl)glucopyranosyl(1 inverted exclamation marku2)-, A-L-rhamnopyranoside |
|---|---|
| Topological Polar Surface Area | 292.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 54.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1370.0 |
| 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-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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 | 1.0 |
| Molecular Formula | C36H36O18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSMKTLJKBSXMMR-WLKGHKDFSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.854 |
| Rotatable Bond Count | 10.0 |
| Logd | 0.956 |
| Compound Name | Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 756.19 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 756.19 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 756.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.450010681481484 |
| Inchi | InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,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)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