| CAS Number | 129865-06-1 |
| Catalog Number | AG000TRC(AGN-PC-0PJ340) |
| Chemical Name | Nonasaccharide Glc4Xyl3Gal2 |
| IUPAC Name | 2-[2-[[3-[6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C51H86O43/c52-1-13-22(61)25(64)33(72)45(85-13)93-41-20(59)11(56)5-79-50(41)82-8-17-39(91-47-35(74)27(66)24(63)16(87-47)7-81-44-32(71)19(58)10(55)4-78-44)30(69)37(76)49(89-17)92-40-18(88-48(36(75)29(40)68)90-38-15(3-54)84-43(77)31(70)28(38)67)9-83-51-42(21(60)12(57)6-80-51)94-46-34(73)26(65)23(62)14(2-53)86-46/h10-77H,1-9H2 |
| InChI Key | GSCHIGXDTVYEEM-UHFFFAOYSA-N |
| MDL Number | MFCD04040971 |
| Molecular Formula | C51H86O43 |
| Molecular Weight | 1387.2027 |
| SMILES | O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O)O |
| Synonyms | Nonasaccharide Glc4Xyl3Gal2,
129865-06-1,
Nonasaccharide,
XLLG,
Xyloglucan Nonasaccharide,
SCHEMBL18055672,
CTK8B4112,
DTXSID90659940,
ANW-43915,
RT-014739,
N0693,
Hexopyranosyl-(1->2)pentopyranosyl-(1->6)-[hexopyranosyl-(1->2)pentopyranosyl-(1->6)-[pentopyranosyl-(1->6)hexopyranosyl-(1->4)]hexopyranosyl-(1->4)]hexopyranosyl-(1->4)hexopyranose,
J-200011,
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| Complexity | 2300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1386.454g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 94 |
| Hydrogen Bond Acceptor Count | 43 |
| Hydrogen Bond Donor Count | 26 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1387.206g/mol |
| Monoisotopic Mass | 1386.454g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 683A^2 |
| Undefined Atom Stereocenter Count | 42 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -17.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number