1,3,6-tri-O-galloylglucose

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 452707
Molecular Formula

C27H24O18

SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

InChI

InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1

synonyms
  • 18483-17-5
  • 1,3,6-tri-O-galloyl-beta-D-glucose
  • 1,3,6-Tri-O-galloyl-b-D-glucose
Click to show/hide the synonyms
Properties
Property Value
MW 636.5 g/mol
HBD 11
HBA 18
Rotatable Bond Count 10
Exact Mass 636.09626391 g/mol
Monoisotopic Mass 636.09626391 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1010
xlogp 0.4
Topological Polar Surface Area 311