Compound Summary
Compound Information
Cyanidin 3-O-beta-D-sambubioside
Compound Name: | Cyanidin 3-O-beta-D-sambubioside |
Compound CID: | 6602304 |
Synonyms: | Cyanidin 3-O-beta-D-sambubioside UNII-7RKF71MYMB 7RKF71MYMB Cyanidin 3-O-sambubioside (2S,3R,4S,5R)-2-(2S,3R,4S,5S,6R)-2-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yloxyoxane-3,4,5-triol More... |
Iupac Name: | (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
InChI: | InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 |
InChIKey: | ZPPQIOUITZSYAO-AOBOYTTNSA-O |
Canonical Smiles: | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O |
Isomeric Smiles: | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O |
Molecular Weight: | 581.5 |
Molecular Formula: | C26H29O15+ |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Cyanidin 3-O-beta-D-sambubioside
Molecular Weight: | 581.5 |
Molecular Formula: | C26H29O15+ |
Hydrogen Bond Donor Count: | 10 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 41 |
Complexity: | 852 |
Synonyms
Cyanidin 3-O-beta-D-sambubioside
| Cyanidin 3-O-beta-D-sambubioside | Cyanidin 3-O-beta-D-sambubioside |
|---|---|
Cyanidin 3-O-beta-D-sambubioside |
UNII-7RKF71MYMB |
7RKF71MYMB |
Cyanidin 3-O-sambubioside |
(2S,3R,4S,5R)-2-(2S,3R,4S,5S,6R)-2-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yloxyoxane-3,4,5-triol |
63535-17-1 |
Cyanidin 3-sambubioside |
Cyanidin 3-o-sambubioside ion |
SCHEMBL4266827 |
CHEBI:74811 |
C20490 |
Q23465648 |
Cyanidin-3-O-(2-O-beta-xylopyranosyl-beta-glucopyranoside) |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside |
Experimental Data
Cyanidin 3-O-beta-D-sambubioside
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 1 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 100 | umol/L | Unclear | N2 | 33683565 |
Experimental Data Visualization
Cyanidin 3-O-beta-D-sambubioside
Statistics Data
Cyanidin 3-O-beta-D-sambubioside
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 3 |
Statistics Data Visualization
Cyanidin 3-O-beta-D-sambubioside
