2-[(6-{[6-({2,3-dihydroxy-4-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]cyclohexyl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase ID: 189967
• Molecular Formular: C30H52O23
• Molecular Mass: 780.72008
• Monoisotopic Mass: 780.28993792
• SMILES: C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC2C(C(C(OC2C)O)O)O)CC1)O)O)O)O)O)O
• Canonical SMILES: OCC1OC(OC2CCC(C(C2O)O)OC2C(C)OC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
• InChI: InChI=1S/C30H52O23/c1-7-24(17(38)20(41)27(45)46-7)47-8-2-3-9(14(35)13(8)34)48-28-22(43)18(39)25(11(5-32)50-28)53-30-23(44)19(40)26(12(6-33)51-30)52-29-21(42)16(37)15(36)10(4-31)49-29/h7-45H,2-6H2,1H3
• InChIKey: ILRIEYAHSSJAOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-{[6-({2,3-dihydroxy-4-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]cyclohexyl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: 2-[(6-{[6-({2,3-dihydroxy-4-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]cyclohexyl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Database IDs

• PubChem SID: 164245877
• PubChem CID: 3509133

CALCULATED PROPERTIES

• Acid pKa: 11.193718
• H Acceptors: 23
• H Donor: 15
• LogD (pH = 5.5): -7.9804506
• LogD (pH = 7.4): -7.98052
• Log P: -7.98045
• Molar Refractivity: 161.4695 cm^3
• Polarizability: 68.19876 Å^3
• Polar Surface Area: 377.29 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer
• Classification: Rare Genuine Natural Compounds