Compound Summary
complanatoside A
Compound Information
complanatoside A
Compound Name: | complanatoside A |
Compound CID: | 101682254 |
Synonyms: | Complanatoside A 146501-37-3 2-3,5-dihydroxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenyl-5,7-dihydroxy-3-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one ComplanatosideA HY-N0624 More... |
Iupac Name: | 2-[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
InChI: | InChI=1S/C27H30O18/c28-5-13-16(34)19(37)21(39)26(42-13)44-24-10(32)1-7(2-11(24)33)23-25(18(36)15-9(31)3-8(30)4-12(15)41-23)45-27-22(40)20(38)17(35)14(6-29)43-27/h1-4,13-14,16-17,19-22,26-35,37-40H,5-6H2/t13-,14-,16-,17-,19+,20+,21-,22-,26+,27+/m1/s1 |
InChIKey: | LLVOJEYSNCNXJN-XUAXIHHBSA-N |
Canonical Smiles: | C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC5C(C(C(C(O5)CO)O)O)O |
Isomeric Smiles: | C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Molecular Weight: | 642.5 |
Molecular Formula: | C27H30O18 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
complanatoside A
Molecular Weight: | 642.5 |
Molecular Formula: | C27H30O18 |
Hydrogen Bond Donor Count: | 12 |
Hydrogen Bond Acceptor Count: | 18 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 45 |
Complexity: | 1060 |
Synonyms
complanatoside A
| complanatoside A | complanatoside A |
|---|---|
Complanatoside A |
146501-37-3 |
2-3,5-dihydroxy-4-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyphenyl-5,7-dihydroxy-3-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxychromen-4-one |
ComplanatosideA |
HY-N0624 |
s9479 |
ZINC238770069 |
CS-6934 |
AS-77085 |
Experimental Data
complanatoside A
| 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 | 25.000000000000000 | umol/L | 20.487000000000000 | 22.356000000000000 | 9.120000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 21.131000000000000 | 23.000000000000000 | 8.850000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 20.163000000000000 | 22.070000000000000 | 9.460000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 20.163000000000000 | 23.653000000000000 | 17.310000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 21.131000000000000 | 23.360000000000000 | 10.550000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 200.000000000000000 | umol/L | 22.140000000000000 | 23.659000000000000 | 6.860000000000000 | NS | N2 | 36071837 | Inactive | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 21.131000000000000 | 24.651000000000000 | 16.660000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 20.163000000000000 | 22.753000000000000 | 12.850000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 200.000000000000000 | umol/L | 20.163000000000000 | 21.380000000000000 | 6.040000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 20.487000000000000 | 22.471000000000000 | 9.680000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 200.000000000000000 | umol/L | 21.131000000000000 | 22.347000000000000 | 5.760000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 20.487000000000000 | 23.922000000000000 | 16.770000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 22.140000000000000 | 23.989000000000000 | 8.350000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 22.140000000000000 | 25.849000000000000 | 16.750000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 22.140000000000000 | 24.602000000000000 | 11.120000000000000 | S | N2 | 36071837 | Active | ||||
| Caenorhabditis elegans | 200.000000000000000 | umol/L | 20.487000000000000 | 21.346000000000000 | 4.190000000000000 | S | N2 | 36071837 | Active |
Experimental Data Visualization
complanatoside A
Statistics Data
complanatoside A
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 17.310000000000000 | 1 | 16 |
Statistics Data Visualization
complanatoside A
