| CAS Number | 121591-98-8 |
| Catalog Number | AG0015D2(AGN-PC-0PFP1R) |
| Chemical Name | D-Glucose, O-α-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)- |
| IUPAC Name | 5-[5-[3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol |
| InChI | InChI=1S/C39H66O33/c40-1-11-30(20(49)23(52)33(59)66-11)70-38-28(57)21(50)32(14(68-38)7-65-36-26(55)17(46)10(43)4-62-36)72-39-29(58)22(51)31(13(69-39)6-64-35-25(54)16(45)9(42)3-61-35)71-37-27(56)19(48)18(47)12(67-37)5-63-34-24(53)15(44)8(41)2-60-34/h8-59H,1-7H2 |
| InChI Key | PZUPAGRIHCRVKN-UHFFFAOYSA-N |
| MDL Number | MFCD28064295 |
| Molecular Formula | C39H66O33 |
| Molecular Weight | 1062.9215 |
| SMILES | O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@]2([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O2)[C@@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1([H])[C@H](O)[C@@H](O)[C@H](O[C@]([H])([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@@H]1CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| Synonyms | Heptasaccharide,
Heptasaccharide Glc4Xyl3,
Xyloglucan Heptasaccharide,
121591-98-8,
XXXG,
SCHEMBL18055670,
DTXSID90659925,
Pentopyranosyl-(1->6)-[pentopyranosyl-(1->6)-[pentopyranosyl-(1->6)hexopyranosyl-(1->4)]hexopyranosyl-(1->4)]hexopyranosyl-(1->4)hexopyranose,
ACN-057225,
H1041,
H1044,
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| Complexity | 1660 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1062.349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 72 |
| Hydrogen Bond Acceptor Count | 33 |
| Hydrogen Bond Donor Count | 20 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1062.924g/mol |
| Monoisotopic Mass | 1062.349g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 525A^2 |
| Undefined Atom Stereocenter Count | 32 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -14.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number