(2S,3S,4S,5S)-5-(((2R,3R,4S,5S,6R)-2-hydroxy-5-(((2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4R,5S,6R)- 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2 -yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-p yran-4-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

• ChemBase ID: 181682
• Molecular Formular: C40H68O33
• Molecular Mass: 1076.94812
• Monoisotopic Mass: 1076.36428464
• SMILES: C1(C(OC2C(C(C(C(O2)CO)O)O)O)C(C(OC1OC1C(C(OC2C(C(C(C(O2)C)O)O)O)C(OC1COC1C(C(C(CO1)O)O)O)O)OC1C(C(C(OC1)O)O)O)CO)O)OC1C(C(C(C(O1)CO)O)O)O
• Canonical SMILES: OCC1OC(OC2C(COC3OCC(C(C3O)O)O)OC(C(C2OC2COC(C(C2O)O)O)OC2OC(C)C(C(C2O)O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(CO)C(C(C1O)O)O
• InChI: InChI=1S/C40H68O33/c1-8-15(45)21(51)26(56)37(64-8)72-32-31(65-13-6-61-34(59)24(54)19(13)49)29(14(66-35(32)60)7-63-36-25(55)16(46)9(44)5-62-36)70-40-33(73-39-28(58)23(53)18(48)11(3-42)68-39)30(20(50)12(4-43)69-40)71-38-27(57)22(52)17(47)10(2-41)67-38/h8-60H,2-7H2,1H3
• InChIKey: GHVNFYWRZBIPTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4S,5S)-5-(((2R,3R,4S,5S,6R)-2-hydroxy-5-(((2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4R,5S,6R)- 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2 -yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-p yran-4-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
• IUPAC Traditional name: (2S,3S,4S,5S)-5-(((2R,3R,4S,5S,6R)-2-hydroxy-5-(((2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4R,5S,6R)- 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2 -yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-p yran-4-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

Database IDs

• PubChem SID: 164237592
• PubChem CID: 3759448

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer, n=52-53
• Classification: Rare Genuine Natural Compounds