Astragaloside IV
PubChem CID: 13943297
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| Compound Synonyms | Astragaloside IV, 84687-43-4, UNII-1J6XA9YCFV, 1J6XA9YCFV, Cyclosiversioside F, CHEBI:65457, ASTRAVERSIANIN XIV, (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, ASTRAGALOSIDE IV [USP-RS], Astrasieversianin XIV, 3-O-beta-D-xylopyranosyl-6-O-beta-D-glucopyranosylcycloastragenol, (2R,3R,4S,5S,6R)-2-[[(1S,3R,8R,9S,11S,12S,14S,15R,16R)-14-Hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl, AstragalosideIV, ASTRAGALOSIDE IV (CONSTITUENT OF ASTRAGALUS) [DSC], ASTRAGALOSIDE IV (USP-RS), MFCD16036240, .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,6.ALPHA.,16.BETA.,20R,24S)-20,24-EPOXY-16,25-DIHYDROXY-3-(.BETA.-D-XYLOPYRANOSYLOXY)-9,19-CYCLOLANOSTAN-6-YL, Astramembrannin I, Astragalin A, (2R,3R,4S,5S,6R)-2-(((1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl)-7,7,12,16-tetramethyl-6-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxy-9-pentacyclo(9.7.0.01,3.03,8.012,16)octadecanyl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, Astragaloside IV 95%, Astragaloside IV (Standard), Astragaloside IV, >98.0%, CHEMBL3121562, SCHEMBL21888259, HY-N0431R, DTXSID801026063, GLXC-13550, HMS3885E12, HY-N0431, s3901, AKOS025311424, CCG-270470, MA08288, 1ST40060, AS-19402, A3305, C17799, ASTRAGALOSIDE IV (CONSTITUENT OF ASTRAGALUS), Q27133900, Astragaloside IV, European Pharmacopoeia (EP) Reference Standard, Astragaloside IV, United States Pharmacopeia (USP) Reference Standard, (2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 617-610-3, Cyclosiversioside F, (3?,6?,16?,24R)-20,24-Epoxy-16,26-dihydroxy-3-(?-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl ?-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 228.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 55.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 21.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 1.3 |
| Molecular Formula | C41H68O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMNWISYXSJWHRY-YLNUDOOFSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.478 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.525 |
| Compound Name | Astragaloside IV |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 784.461 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 784.461 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 785.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 21.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.038682200000002 |
| Inchi | InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1 |
| Smiles | C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hedysarum Polybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all