Vitexin 2''-O-rhamnoside
PubChem CID: 5282151
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| Compound Synonyms | Vitexin-2-O-rhamnoside, 64820-99-1, Vitexin 2''-O-rhamnoside, 2-O-Rhamnosylvitexin, Vitexin 2''-rhamnoside, Vitexin-2''-rhamnoside, 2''-O-Rhamnosylvitexin, 2''-Rhamnosylvitexin, UNII-UD7Y63I5X5, Vitexin-2''-O-rhamnoside, UD7Y63I5X5, CHEBI:32298, vitexin 2''-O-alpha-L-rhamnoside, Vitexin-2'-O-rhamnoside, Apigenin-8-C-glucoside-2'-rhamnoside, 8-[(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]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, (1S)-1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol, (1S)-1,5-anhydro-2-O-(alpha-L-rhamnopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol, 8-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Vitexin-2'-O-rhamnoside, Vitexin 2'-O-rhamnoside, MEGxp0_001018, SCHEMBL1954688, CHEMBL1685070, ACon1_001257, HY-N0534R, DTXSID20215119, LYGPBZVKGHHTIE-HUBYJIGHSA-N, GLXC-13461, HY-N0534, 2''-O-RHAMNOPYRANOSYLVITEXIN, s5460, Vitexin-2'-O-rhamnoside (Standard), AKOS015897136, CCG-270120, OV08033, NCGC00169526-01, 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, AS-57695, Vitexin 2-O-rhamnoside, analytical standard, CS-0009067, vitexin-2invertedexclamationmarka-o-rhamnoside, BRD-K00786504-001-01-8, Q27114859, Vitexin 2-O-rhamnoside, primary pharmaceutical reference standard, VITEXIN-2''-O-RHAMNOSIDE (CONSTITUENT OF HAWTHORN LEAF WITH FLOWER), 2-O-Rhamnosylvitexin, 8-[2-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Apigenin 8-C-neohesperidoside |
|---|---|
| Topological Polar Surface Area | 236.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 954.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | O42275, P81908 |
| Iupac Name | 8-[(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]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.9 |
| Molecular Formula | C27H30O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYGPBZVKGHHTIE-HUBYJIGHSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -3.82 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.03 |
| Compound Name | Vitexin 2''-O-rhamnoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 578.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 578.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3272230878048807 |
| Inchi | InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pyrrosia Lingua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pyrrosia Petiolosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pyrrosia Sheareri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pyrrosia Tricuspis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all