5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside
PubChem CID: 10459196
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| Compound Synonyms | 77307-50-7, SL 0101-1, SL0101, SL-0101, CHEMBL240954, 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside, SL 0101, 3ubd, [(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate, SL0101-1, SCHEMBL4371341, SXOZSDJHGMAEGZ-IGKKHSBFSA-N, DTXSID801197567, GLXC-04108, kaempferol-3-O-(3,4-di-O-acetyl-alpha-L-rhamnopyranoside), CDA30750, BDBM50241294, 3'',?4''-?Di-?O-?acetylafzelin, AKOS030621758, AC-29057, DA-77882, HY-15237, MS-29586, CS-0003824, Q27465395, Z2216897437, kaempferol 3-O-(3'''',4''''-di-O-acetyl-alpha-L-rhamnopyranoside, Kaempferol 3-O-(3a(2)a(2),4a(2)a(2)-di-O-acetyl-I+/--L-rhamnopyranoside), (2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate, (2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyldiacetate, SL0 |
|---|---|
| Topological Polar Surface Area | 178.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 909.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P08684, P10635, O75116, Q15418, O15264, P53778, O96013, Q9P286, Q9NQU5, O15530, P11309, Q9P1W9, Q86V86, P17612, P31749, P31751, P17252, Q05513, Q15139, Q96SB4, P51812, P23443, O00141, Q15746, P00523, Q96GD4, Q9UQB9, Q8IWQ3, Q14012, Q8N5S9, Q96RR4, P78396, O14757, O96017, P48730, P19784, P41240, Q13627, Q92630, O00418, P27361, P28482, Q8TD08, O43781, Q13188, P51955, Q9HC98, Q8TDX7, Q16539, Q15759, P49841, Q9H2X6, Q9H422, O14920, P45983, P45984, P53779, P06240, P49137, Q16644, P27448, Q14680, Q02750, Q9BUB5, Q9HBH9, O75582, P53350, Q8IW41, Q16513 |
| Iupac Name | [(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate |
| Prediction Hob | 0.0 |
| Target Id | NPT109, NPT110, NPT1705 |
| Xlogp | 2.4 |
| Molecular Formula | C25H24O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXOZSDJHGMAEGZ-IGKKHSBFSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.565 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.041 |
| Compound Name | 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 516.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 516.127 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 516.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.021421000000001 |
| Inchi | InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/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)OC(=O)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Spectabile (Plant) Rel Props:Source_db:npass_chem_all