Compound Summary
Asparanin B
Compound Information
Asparanin B
Compound Name: | Asparanin B |
Compound CID: | 441896 |
Synonyms: | Asparanin B Shatavarin IV 84633-34-1 UNII-Z905922Y1P Sarsasapogenin 3-O-4G-rhamnosylsophoroside More... |
Iupac Name: | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
InChI: | InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 |
InChIKey: | BCUDKRWNGQAFLF-PJFZGHSASA-N |
Canonical Smiles: | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)OC1 |
Isomeric Smiles: | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)OC1 |
Molecular Weight: | 887.1 |
Molecular Formula: | C45H74O17 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Asparanin B
Molecular Weight: | 887.1 |
Molecular Formula: | C45H74O17 |
Hydrogen Bond Donor Count: | 9 |
Hydrogen Bond Acceptor Count: | 17 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 62 |
Complexity: | 1560 |
Synonyms
Asparanin B
| Asparanin B | Asparanin B |
|---|---|
Asparanin B |
Shatavarin IV |
84633-34-1 |
UNII-Z905922Y1P |
Sarsasapogenin 3-O-4G-rhamnosylsophoroside |
Z905922Y1P |
(2S,3R,4R,5R,6S)-2-(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(1R,2S,4S,5S,6R,7S,8R,9S,12S,13S,16S,18R)-5,7,9,13-tetramethylspiro5-oxapentacyclo10.8.0.02,9.04,8.013,18icosane-6,2-oxane-16-yloxy-5-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyoxan-3-yloxy-6-methyloxane-3,4,5-triol |
C08912 |
SESAMOL(RG) |
113982-32-4 |
CHEBI:9039 |
ZINC253529486 |
Asparanin B, >=90% (LC/MS-ELSD) |
beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-(beta-D-glucopyranosyl-(1->2))- |
Q27108242 |
Experimental Data
Asparanin B
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 23.430000000000000 | 26.950000000000000 | 15.020000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 23.430000000000000 | 24.580000000000000 | 4.890000000000000 | NS | N2 | 32888154 | Inactive | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 23.430000000000000 | 25.570000000000000 | 9.110000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 16.180000000000000 | 19.110000000000000 | 18.090000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 15.710000000000000 | 18.420000000000000 | 17.260000000000000 | S | N2 | 29069955 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 22.320000000000000 | 26.650000000000000 | 19.430000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 22.760000000000000 | 24.980000000000000 | 9.760000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 22.760000000000000 | 27.060000000000000 | 18.860000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.710000000000000 | 16.230000000000000 | 3.260000000000000 | NS | N2 | 29069955 | Inactive | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 22.320000000000000 | 24.600000000000000 | 10.230000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 22.320000000000000 | 22.900000000000000 | 2.620000000000000 | NS | N2 | 32888154 | Inactive | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 15.710000000000000 | 17.490000000000000 | 11.310000000000000 | S | N2 | 29069955 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 16.180000000000000 | 17.760000000000000 | 9.740000000000000 | S | N2 | 32888154 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 16.180000000000000 | 16.570000000000000 | 2.360000000000000 | NS | N2 | 32888154 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 22.760000000000000 | 23.580000000000000 | 3.570000000000000 | NS | N2 | 32888154 | Inactive |
Experimental Data Visualization
Asparanin B
Statistics Data
Asparanin B
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 19.430000000000000 | 2 | 15 |
Statistics Data Visualization
Asparanin B
