Compound Summary
Zingibroside R1
Compound Information
Zingibroside R1
Compound Name: | Zingibroside R1 |
Compound CID: | 10395524 |
Synonyms: | Zingibroside R1 80930-74-1 (2S,3S,4S,5R,6R)-6-(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yloxy-3,4-dihydroxy-5-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyoxane-2-carboxylic acid Ginsenoside Z-R1 HY-N6924 More... |
Iupac Name: | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
InChI: | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1 |
InChIKey: | WJQOMUVKRDJBGZ-COUNGWPASA-N |
Canonical Smiles: | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C |
Isomeric Smiles: | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
Molecular Weight: | 795 |
Molecular Formula: | C42H66O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Zingibroside R1
Molecular Weight: | 795 |
Molecular Formula: | C42H66O14 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 56 |
Complexity: | 1560 |
Synonyms
Zingibroside R1
| Zingibroside R1 | Zingibroside R1 |
|---|---|
Zingibroside R1 |
80930-74-1 |
(2S,3S,4S,5R,6R)-6-(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yloxy-3,4-dihydroxy-5-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxyoxane-2-carboxylic acid |
Ginsenoside Z-R1 |
HY-N6924 |
28-O-deglucosyl-chikusetsusaponin V |
ZINC255276197 |
XZ172775 |
CS-0100751 |
E88588 |
Experimental Data
Zingibroside R1
| 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 | 19.690000000000000 | 21.660000000000000 | 10.000000000000000 | 28.000000000000000 | 30.000000000000000 | 0.070000000000000 | S | N2 | 36235851 | Active |
Experimental Data Visualization
Zingibroside R1
Statistics Data
Zingibroside R1
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | 0.070000000000000 | 1 | 1 |
Statistics Data Visualization
Zingibroside R1
